#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4k n ILE 45 N 0.00 0.54 -3.86 0.53 -6.64 -1.26 -4.96 119.36 103.70 3k4k n ILE 45 Ca 0.00 -0.77 -0.20 0.00 -1.77 0.00 0.00 62.75 60.01 3k4k n ILE 45 Cb 0.00 0.85 -0.17 0.00 -1.44 0.00 0.00 39.64 38.88 3k4k n ILE 45 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3k4k s LYS 46 N -1.00 0.43 0.19 6.28 2.47 -1.26 -0.42 119.74 126.42 3k4k s LYS 46 Ca 0.20 0.11 0.02 0.00 -1.56 0.00 0.00 55.97 54.74 3k4k s LYS 46 Cb 0.12 -0.72 -0.05 0.00 -1.46 0.00 0.00 37.83 35.72 3k4k s LYS 46 CO 0.16 -0.22 0.01 0.71 0.16 0.00 0.00 175.35 176.18 3k4k s TYR 47 N 1.55 1.32 -0.05 4.03 1.51 -0.49 -5.01 117.35 120.20 3k4k s TYR 47 Ca -0.02 -1.03 -0.26 0.00 -1.01 0.00 0.00 57.07 54.76 3k4k s TYR 47 Cb -0.13 -0.75 -0.21 0.00 -0.11 0.00 0.00 41.96 40.76 3k4k s TYR 47 CO -0.03 -0.20 1.08 -0.44 -1.11 0.00 0.00 175.55 174.85 3k4k h ASP 48 N 2.61 -0.03 -3.93 2.29 3.32 -1.27 -2.86 116.42 116.55 3k4k h ASP 48 Ca -0.37 -0.58 -0.43 0.00 0.02 0.00 0.00 57.03 55.66 3k4k h ASP 48 Cb 1.21 0.01 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 3k4k h ASP 48 CO 0.63 0.59 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.25 3k4k s VAL 49 N -3.64 0.85 -0.04 -1.35 1.01 -0.78 -1.00 120.40 115.45 3k4k s VAL 49 Ca -0.16 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3k4k s VAL 49 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3k4k s VAL 49 CO 0.64 0.25 -0.23 0.68 0.00 0.00 0.00 175.10 176.45 3k4k s VAL 50 N 0.00 1.85 -0.10 2.92 -7.23 -0.72 -1.17 120.40 115.96 3k4k s VAL 50 Ca -0.00 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3k4k s VAL 50 Cb -0.07 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.31 3k4k s VAL 50 CO 0.00 0.52 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.48 3k4k s ILE 51 N -0.22 1.77 -0.35 -0.62 1.01 -0.19 -0.85 121.20 121.75 3k4k s ILE 51 Ca -0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 3k4k s ILE 51 Cb -0.12 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.79 3k4k s ILE 51 CO 0.02 0.50 0.22 -0.69 0.00 0.00 0.00 174.94 174.99 3k4k s VAL 52 N 0.53 4.97 0.00 2.92 1.01 0.18 -1.51 120.40 128.50 3k4k s VAL 52 Ca -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3k4k s VAL 52 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3k4k s VAL 52 CO 0.06 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3k4k n GLY 53 N 5.06 2.24 1.25 4.51 0.00 0.73 -0.26 105.19 118.72 3k4k n GLY 53 Ca -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 3k4k n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4k n SER 54 N 0.00 3.06 -3.27 1.61 3.41 -1.26 -4.29 113.62 112.87 3k4k n SER 54 Ca 0.00 -3.55 -0.24 0.00 -0.26 0.00 0.00 58.87 54.82 3k4k n SER 54 Cb 0.00 -0.64 0.22 0.00 -0.26 0.00 0.00 64.21 63.53 3k4k n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4k n GLY 55 N -0.94 -3.29 0.26 5.00 0.00 -1.26 -2.27 105.19 102.68 3k4k n GLY 55 Ca 0.34 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 45.11 3k4k n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4k h PRO 56 N 0.00 0.00 0.06 1.61 0.13 -1.92 0.22 132.00 132.10 3k4k h PRO 56 Ca -0.32 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 3k4k h PRO 56 Cb 1.04 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.18 3k4k h PRO 56 CO 0.20 0.12 -0.41 0.82 -0.23 0.00 0.00 178.00 178.49 3k4k h ILE 57 N 0.00 1.61 -0.96 -3.56 1.08 -1.91 -1.67 117.51 112.09 3k4k h ILE 57 Ca -0.00 -2.32 0.09 0.00 -0.39 0.00 0.00 64.86 62.24 3k4k h ILE 57 Cb 0.42 3.14 -0.08 0.00 -3.07 0.00 0.00 36.82 37.24 3k4k h ILE 57 CO 0.01 0.64 0.60 1.23 -0.69 0.00 0.00 178.15 179.94 3k4k h GLY 58 N -0.59 1.52 2.00 5.37 0.00 -1.68 -1.60 103.07 108.09 3k4k h GLY 58 Ca -0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 3k4k h GLY 58 CO 0.08 0.22 -0.27 0.00 0.00 0.00 0.00 176.54 176.57 3k4k h THR 60 N 0.00 1.07 -0.52 0.00 2.02 -0.31 0.24 112.91 115.42 3k4k h THR 60 Ca -0.00 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3k4k h THR 60 Cb 0.59 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3k4k h THR 60 CO 0.03 0.06 0.26 1.88 0.37 0.00 0.00 175.52 178.13 3k4k h TYR 61 N 0.02 0.47 -0.16 3.16 0.05 -1.12 -1.64 116.97 117.76 3k4k h TYR 61 Ca 0.02 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3k4k h TYR 61 Cb 0.07 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3k4k h TYR 61 CO -0.05 0.22 0.04 0.00 -1.05 0.00 0.00 178.16 177.32 3k4k h ALA 62 N 1.29 0.21 -0.37 3.88 0.00 -0.85 0.19 119.26 123.62 3k4k h ALA 62 Ca 0.24 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3k4k h ALA 62 Cb 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3k4k h ALA 62 CO -0.18 -0.16 -0.16 -0.09 0.00 0.00 0.00 179.25 178.66 3k4k h ARG 63 N 0.06 -0.09 -0.15 0.00 2.43 -0.37 0.39 114.38 116.65 3k4k h ARG 63 Ca 0.05 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3k4k h ARG 63 Cb 0.25 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3k4k h ARG 63 CO -0.00 -0.06 -0.27 0.93 -1.51 0.00 0.00 179.97 179.06 3k4k h GLU 64 N -0.10 0.45 0.16 0.20 4.39 -1.14 -2.62 114.58 115.92 3k4k h GLU 64 Ca 0.18 -0.28 -0.31 0.00 0.34 0.00 0.00 59.36 59.29 3k4k h GLU 64 Cb 0.38 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3k4k h GLU 64 CO -0.43 0.88 -1.47 -0.07 -1.16 0.00 0.00 179.01 176.76 3k4k h LEU 65 N 0.06 0.54 -0.94 1.33 3.38 -0.69 -2.48 115.31 116.51 3k4k h LEU 65 Ca 0.01 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 3k4k h LEU 65 Cb 0.86 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3k4k h LEU 65 CO 0.06 1.53 0.29 0.58 0.09 0.00 0.00 178.44 180.99 3k4k h VAL 66 N 0.09 1.24 0.00 1.22 2.07 -0.35 -2.17 116.25 118.36 3k4k h VAL 66 Ca -0.23 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 3k4k h VAL 66 Cb 2.05 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3k4k h VAL 66 CO 0.20 0.31 -0.29 1.23 0.02 0.00 0.00 177.57 179.04 3k4k h GLY 67 N 1.10 0.00 -0.80 2.17 0.00 -1.44 -2.43 103.07 101.66 3k4k h GLY 67 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3k4k h GLY 67 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.52 3k4k n ALA 68 N -2.27 2.53 0.00 3.60 0.00 -0.94 -4.94 120.51 118.50 3k4k n ALA 68 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3k4k n ALA 68 Cb 0.45 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3k4k n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4k n GLY 69 N 1.17 1.01 3.79 0.00 0.00 -0.91 -4.90 105.19 105.34 3k4k n GLY 69 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3k4k n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4k s TYR 70 N -2.00 3.54 -0.60 1.61 1.51 -0.86 -4.62 117.35 115.93 3k4k s TYR 70 Ca 0.00 1.72 -0.28 0.00 -1.01 0.00 0.00 57.07 57.50 3k4k s TYR 70 Cb 0.00 -2.95 0.03 0.00 -0.11 0.00 0.00 41.96 38.93 3k4k s TYR 70 CO 0.00 -0.01 1.24 0.21 -1.11 0.00 0.00 175.55 175.88 3k4k s LYS 71 N -2.35 3.43 -0.11 -0.62 2.20 -1.26 -4.39 119.74 116.65 3k4k s LYS 71 Ca 0.54 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 56.36 3k4k s LYS 71 Cb -0.17 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 3k4k s LYS 71 CO 0.22 -1.79 -0.14 0.08 -0.36 0.00 0.00 175.35 173.36 3k4k s VAL 72 N 5.23 2.97 -0.01 4.02 1.01 -0.89 -0.79 120.40 131.94 3k4k s VAL 72 Ca 0.43 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3k4k s VAL 72 Cb -0.08 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3k4k s VAL 72 CO 0.24 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.75 3k4k s ALA 73 N 0.07 2.73 -0.04 5.51 0.00 -0.32 -1.21 121.76 128.51 3k4k s ALA 73 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3k4k s ALA 73 Cb -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3k4k s ALA 73 CO 0.05 0.57 -0.13 1.41 0.00 0.00 0.00 175.76 177.66 3k4k s MET 74 N -1.09 1.39 -0.04 0.00 1.75 0.16 -1.02 119.30 120.44 3k4k s MET 74 Ca 0.14 -0.46 0.06 0.00 -1.25 0.00 0.00 55.69 54.17 3k4k s MET 74 Cb -0.11 -1.24 -0.02 0.00 2.84 0.00 0.00 34.83 36.30 3k4k s MET 74 CO 0.03 0.18 -0.21 -0.06 -0.65 0.00 0.00 175.02 174.31 3k4k s PHE 75 N 0.12 2.51 0.01 4.11 0.08 -0.57 -0.08 117.98 124.16 3k4k s PHE 75 Ca -0.04 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.63 3k4k s PHE 75 Cb -0.10 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3k4k s PHE 75 CO 0.01 -0.00 -0.08 0.34 -0.10 0.00 0.00 175.22 175.39 3k4k s ASP 76 N -0.51 0.97 0.37 1.36 -1.08 -0.76 -0.20 116.67 116.82 3k4k s ASP 76 Ca 0.07 -0.23 0.19 0.00 -0.52 0.00 0.00 52.55 52.06 3k4k s ASP 76 Cb -0.11 -0.08 0.59 0.00 -1.46 0.00 0.00 42.92 41.85 3k4k s ASP 76 CO 0.01 0.05 1.69 -0.29 0.52 0.00 0.00 175.17 177.14 3k4k h ILE 77 N 4.85 0.81 -5.25 4.11 2.10 -1.82 -0.59 117.51 121.71 3k4k h ILE 77 Ca -0.31 -1.60 -0.42 0.00 1.08 0.00 0.00 64.86 63.61 3k4k h ILE 77 Cb 1.19 2.01 0.08 0.00 -1.09 0.00 0.00 36.82 39.00 3k4k h ILE 77 CO 0.48 0.37 0.12 0.61 -1.08 0.00 0.00 178.15 178.64 3k4k n GLY 78 N 0.44 0.56 3.42 8.18 0.00 -1.26 -3.75 105.19 112.78 3k4k n GLY 78 Ca 0.00 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 3k4k n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4k s GLU 79 N -4.88 1.53 -0.04 1.61 2.02 -1.26 -1.33 118.70 116.35 3k4k s GLU 79 Ca 0.60 -1.74 -0.30 0.00 0.02 0.00 0.00 54.97 53.55 3k4k s GLU 79 Cb -0.03 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.84 3k4k s GLU 79 CO 0.40 0.14 1.49 0.42 0.02 0.00 0.00 175.26 177.73 3k4k s ILE 80 N -2.87 3.69 -0.34 -1.63 1.01 -1.26 -1.32 121.20 118.49 3k4k s ILE 80 Ca 0.28 0.98 0.11 0.00 0.00 0.00 0.00 60.65 62.01 3k4k s ILE 80 Cb 0.01 -3.63 0.37 0.00 0.01 0.00 0.00 42.46 39.21 3k4k s ILE 80 CO 0.11 -0.04 1.42 -0.90 0.00 0.00 0.00 174.94 175.53 3k4k n ASP 81 N 6.17 -1.49 -0.63 3.58 5.75 -1.26 -4.98 116.55 123.69 3k4k n ASP 81 Ca 0.15 -2.19 0.07 0.00 -0.01 0.00 0.00 54.79 52.80 3k4k n ASP 81 Cb 0.43 0.75 0.21 0.00 -1.03 0.00 0.00 41.12 41.48 3k4k n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k4k n SER 82 N -1.16 2.98 0.00 -1.12 7.64 -1.26 -5.01 113.62 115.69 3k4k n SER 82 Ca -0.13 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.53 3k4k n SER 82 Cb 0.84 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3k4k n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4k n GLY 83 N -0.97 -1.79 0.23 0.23 0.00 -1.26 -4.50 105.19 97.13 3k4k n GLY 83 Ca 0.21 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.62 3k4k n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4k h LEU 84 N 0.00 0.00 -8.61 0.99 3.38 -2.02 -3.38 115.31 105.66 3k4k h LEU 84 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3k4k h LEU 84 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3k4k h LEU 84 CO 0.00 0.14 0.81 -0.54 0.09 0.00 0.00 178.44 178.95 3k4k s LYS 85 N -3.55 3.53 0.07 1.13 1.02 -1.26 -5.00 119.74 115.68 3k4k s LYS 85 Ca 0.02 0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.91 3k4k s LYS 85 Cb 0.09 -3.98 -0.07 0.00 -0.52 0.00 0.00 37.83 33.35 3k4k s LYS 85 CO 0.62 -1.49 1.32 0.42 -0.92 0.00 0.00 175.35 175.31 3k4k s ILE 86 N 4.42 3.65 -1.36 2.17 1.01 -1.26 -2.44 121.20 127.38 3k4k s ILE 86 Ca 0.41 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.21 3k4k s ILE 86 Cb -0.09 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3k4k s ILE 86 CO 0.26 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3k4k n GLY 87 N 3.43 1.37 3.88 6.18 0.00 -1.26 -4.24 105.19 114.55 3k4k n GLY 87 Ca 0.11 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3k4k n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4k s ALA 88 N -2.47 2.40 0.04 4.61 0.00 -1.02 -2.50 121.76 122.80 3k4k s ALA 88 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 3k4k s ALA 88 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 3k4k s ALA 88 CO 0.00 -1.95 1.24 -1.58 0.00 0.00 0.00 175.76 173.47 3k4k s HIS 89 N -3.58 3.31 -0.87 0.00 2.46 -1.26 -4.51 115.29 110.84 3k4k s HIS 89 Ca 0.65 1.20 0.21 0.00 0.47 0.00 0.00 55.06 57.58 3k4k s HIS 89 Cb -0.10 -3.47 0.84 0.00 -0.13 0.00 0.00 32.58 29.72 3k4k s HIS 89 CO 0.51 -1.52 1.64 1.63 -2.47 0.00 0.00 174.74 174.53 3k4k n LYS 90 N 4.34 0.06 0.00 2.88 5.02 0.14 -2.15 118.16 128.46 3k4k n LYS 90 Ca 0.10 0.23 0.14 0.00 -2.02 0.00 0.00 58.31 56.76 3k4k n LYS 90 Cb 0.46 -1.61 0.67 0.00 -0.02 0.00 0.00 35.03 34.53 3k4k n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4k n LYS 91 N -1.72 0.84 -1.06 1.97 4.81 -1.26 -4.09 118.16 117.65 3k4k n LYS 91 Ca 0.04 -0.26 -0.19 0.00 -0.87 0.00 0.00 58.31 57.03 3k4k n LYS 91 Cb 0.24 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3k4k n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4k n ASN 92 N -0.85 6.42 -4.78 3.14 3.02 -0.91 -4.36 115.26 116.93 3k4k n ASN 92 Ca 0.17 -3.08 -0.26 0.00 -0.03 0.00 0.00 54.58 51.38 3k4k n ASN 92 Cb 0.25 -1.12 -0.06 0.00 -0.61 0.00 0.00 39.78 38.25 3k4k n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4k s THR 93 N -2.15 4.41 0.21 3.41 -4.23 -1.26 -5.02 115.64 111.02 3k4k s THR 93 Ca 0.40 -1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 59.71 3k4k s THR 93 Cb 0.28 -3.25 0.15 0.00 1.34 0.00 0.00 72.50 71.02 3k4k s THR 93 CO -0.06 -0.11 1.76 0.58 -0.54 0.00 0.00 174.62 176.25 3k4k h VAL 94 N 2.08 1.26 -0.69 2.29 2.07 -1.98 -2.30 116.25 118.99 3k4k h VAL 94 Ca -0.48 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3k4k h VAL 94 Cb 1.20 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3k4k h VAL 94 CO 0.63 0.35 0.14 -0.08 0.02 0.00 0.00 177.57 178.63 3k4k h GLU 95 N 1.13 1.12 -0.43 1.57 4.57 -1.95 -1.82 114.58 118.76 3k4k h GLU 95 Ca 0.25 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 3k4k h GLU 95 Cb 0.27 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3k4k h GLU 95 CO -0.01 1.00 -0.14 1.88 -1.18 0.00 0.00 179.01 180.55 3k4k h TYR 96 N 1.05 0.90 0.00 0.92 0.05 -1.77 -2.21 116.97 115.90 3k4k h TYR 96 Ca 0.21 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3k4k h TYR 96 Cb 0.40 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3k4k h TYR 96 CO 0.03 0.90 0.00 1.04 -1.05 0.00 0.00 178.16 179.08 3k4k n GLN 97 N -4.14 0.01 0.00 4.88 6.02 -0.90 -0.84 117.38 122.41 3k4k n GLN 97 Ca 0.01 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 3k4k n GLN 97 Cb 0.39 -1.51 0.02 0.00 1.02 0.00 0.00 30.24 30.16 3k4k n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k4k n LYS 98 N -1.52 0.79 -2.85 -1.09 5.02 -0.70 -4.53 118.16 113.27 3k4k n LYS 98 Ca 0.06 -0.63 -0.11 0.00 -2.02 0.00 0.00 58.31 55.60 3k4k n LYS 98 Cb 0.28 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.85 3k4k n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4k n ASN 99 N -0.56 -0.36 0.03 4.39 3.02 -0.55 -5.04 115.26 116.19 3k4k n ASN 99 Ca 0.08 -3.02 0.01 0.00 -0.03 0.00 0.00 54.58 51.63 3k4k n ASN 99 Cb 0.41 0.37 0.34 0.00 -0.61 0.00 0.00 39.78 40.29 3k4k n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4k h ILE 100 N 2.17 1.17 0.00 2.41 6.09 -1.22 -2.37 117.51 125.76 3k4k h ILE 100 Ca -0.07 -0.68 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 3k4k h ILE 100 Cb 1.12 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.35 3k4k h ILE 100 CO 0.30 0.23 0.00 0.44 -3.07 0.00 0.00 178.15 176.05 3k4k h ASP 101 N 0.43 0.00 0.91 2.19 3.32 -1.84 -1.67 116.42 119.77 3k4k h ASP 101 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3k4k h ASP 101 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3k4k h ASP 101 CO 0.01 0.00 -0.03 0.11 -1.72 0.00 0.00 179.24 177.61 3k4k h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.72 -3.06 116.57 117.14 3k4k h LYS 102 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3k4k h LYS 102 Cb 0.25 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3k4k h LYS 102 CO 0.00 0.03 -0.14 0.35 -1.08 0.00 0.00 179.45 178.61 3k4k h PHE 103 N 0.00 0.00 -1.00 -1.35 3.57 -1.46 -2.20 116.94 114.50 3k4k h PHE 103 Ca -0.00 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.72 3k4k h PHE 103 Cb 0.49 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 3k4k h PHE 103 CO 0.00 0.14 0.62 -0.24 -2.23 0.00 0.00 178.31 176.61 3k4k h VAL 104 N 0.00 0.62 -0.71 1.41 3.04 -1.73 0.36 116.25 119.24 3k4k h VAL 104 Ca -0.00 -0.20 -0.07 0.00 -1.01 0.00 0.00 66.70 65.42 3k4k h VAL 104 Cb 0.37 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 29.60 3k4k h VAL 104 CO 0.02 0.11 0.18 0.78 -1.01 0.00 0.00 177.57 177.65 3k4k h ASN 105 N 0.59 1.08 -0.75 3.17 4.21 -1.62 -1.80 115.58 120.46 3k4k h ASN 105 Ca 0.58 -0.23 -0.02 0.00 1.21 0.00 0.00 56.30 57.84 3k4k h ASN 105 Cb 1.16 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 38.04 3k4k h ASN 105 CO -0.35 1.03 0.38 0.58 -1.29 0.00 0.00 177.43 177.78 3k4k h VAL 106 N 1.08 1.24 -0.10 2.81 2.07 -1.05 -1.30 116.25 121.00 3k4k h VAL 106 Ca 0.23 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3k4k h VAL 106 Cb 0.36 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3k4k h VAL 106 CO 0.00 0.27 0.06 0.40 0.02 0.00 0.00 177.57 178.32 3k4k h ILE 107 N 1.05 1.05 -0.53 4.57 2.04 -1.17 -2.65 117.51 121.86 3k4k h ILE 107 Ca 0.26 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3k4k h ILE 107 Cb 0.08 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3k4k h ILE 107 CO -0.04 0.05 0.11 1.56 0.00 0.00 0.00 178.15 179.84 3k4k h GLN 108 N 0.10 0.82 0.00 2.37 4.20 -1.12 -1.89 115.11 119.60 3k4k h GLN 108 Ca 0.04 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3k4k h GLN 108 Cb 0.03 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3k4k h GLN 108 CO -0.01 0.75 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 3k4k n GLY 109 N -0.83 -0.96 0.73 3.46 0.00 -0.51 -2.59 105.19 104.48 3k4k n GLY 109 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3k4k n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4k n GLN 110 N -2.15 0.71 -3.77 1.61 10.64 -0.73 -4.94 117.38 118.74 3k4k n GLN 110 Ca -0.00 -2.26 -0.37 0.00 -1.83 0.00 0.00 57.00 52.54 3k4k n GLN 110 Cb 0.10 -0.87 -0.12 0.00 -0.86 0.00 0.00 30.24 28.48 3k4k n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4k s LEU 111 N -1.50 4.71 -0.28 2.61 1.43 -1.07 -3.95 118.68 120.63 3k4k s LEU 111 Ca 0.27 -1.57 -0.08 0.00 -1.03 0.00 0.00 54.13 51.72 3k4k s LEU 111 Cb 0.27 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3k4k s LEU 111 CO -0.06 -0.43 0.10 -0.04 0.23 0.00 0.00 176.35 176.15 3k4k s MET 112 N 1.27 3.47 0.25 1.70 -1.94 -0.30 -4.83 119.30 118.91 3k4k s MET 112 Ca 0.02 -0.61 -0.31 0.00 -1.71 0.00 0.00 55.69 53.08 3k4k s MET 112 Cb -0.21 -3.42 -0.14 0.00 2.01 0.00 0.00 34.83 33.07 3k4k s MET 112 CO -0.01 -0.30 1.30 0.43 -0.01 0.00 0.00 175.02 176.43 3k4k n SER 113 N 4.94 2.33 -0.04 3.03 7.64 -1.26 -0.91 113.62 129.33 3k4k n SER 113 Ca -0.15 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.75 3k4k n SER 113 Cb 0.50 -1.38 -0.08 0.00 -1.01 0.00 0.00 64.21 62.24 3k4k n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4k h VAL 114 N 2.79 1.36 -2.30 0.44 2.07 -1.38 -3.45 116.25 115.79 3k4k h VAL 114 Ca -0.44 -1.30 -0.21 0.00 0.82 0.00 0.00 66.70 65.57 3k4k h VAL 114 Cb 1.30 1.97 -0.32 0.00 -1.52 0.00 0.00 31.29 32.72 3k4k h VAL 114 CO 0.71 0.37 -0.53 -0.55 0.02 0.00 0.00 177.57 177.60 3k4k s SER 115 N -6.04 0.59 -0.26 0.57 0.15 -1.26 -4.62 113.70 102.83 3k4k s SER 115 Ca -0.15 0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.65 3k4k s SER 115 Cb 0.04 0.83 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 3k4k s SER 115 CO 0.74 -0.29 0.02 -0.69 1.20 0.00 0.00 173.24 174.21 3k4k s VAL 116 N 2.46 3.58 0.91 4.45 1.01 -1.26 -4.73 120.40 126.82 3k4k s VAL 116 Ca 0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3k4k s VAL 116 Cb -0.15 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.59 3k4k s VAL 116 CO -0.13 0.20 1.10 -2.16 0.00 0.00 0.00 175.10 174.11 3k4k s PRO 117 N 1.46 1.09 0.24 2.72 0.04 -1.26 0.20 135.00 139.49 3k4k s PRO 117 Ca 0.03 1.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 3k4k s PRO 117 Cb -0.16 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 3k4k s PRO 117 CO -0.00 -2.42 1.69 0.28 0.04 0.00 0.00 177.00 176.58 3k4k n VAL 118 N -4.04 0.35 -2.54 -0.36 0.31 -1.26 -4.61 118.33 106.19 3k4k n VAL 118 Ca 0.08 -0.09 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 3k4k n VAL 118 Cb 0.54 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 3k4k n VAL 118 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3k4k s ASN 119 N 0.95 7.28 -0.08 4.52 3.84 -1.26 -4.96 114.94 125.23 3k4k s ASN 119 Ca 0.71 2.04 0.12 0.00 0.21 0.00 0.00 52.86 55.95 3k4k s ASN 119 Cb -0.50 -2.60 0.19 0.00 -0.55 0.00 0.00 41.25 37.79 3k4k s ASN 119 CO 0.38 -0.22 1.09 0.35 -2.79 0.00 0.00 177.10 175.91 3k4k n THR 120 N 2.57 1.27 -1.95 -5.21 -2.24 -1.26 -4.83 114.28 102.62 3k4k n THR 120 Ca 0.03 -1.52 -0.41 0.00 -2.27 0.00 0.00 64.05 59.88 3k4k n THR 120 Cb 0.47 0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 3k4k n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4k s LEU 121 N -1.92 4.37 -0.35 3.22 1.43 -1.26 -4.99 118.68 119.18 3k4k s LEU 121 Ca 0.21 2.82 -0.16 0.00 -1.03 0.00 0.00 54.13 55.97 3k4k s LEU 121 Cb 0.18 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3k4k s LEU 121 CO 0.02 -0.73 0.39 -0.69 0.23 0.00 0.00 176.35 175.57 3k4k s VAL 122 N -0.67 5.14 -0.48 -1.59 1.01 -1.26 -5.02 120.40 117.52 3k4k s VAL 122 Ca 0.55 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 3k4k s VAL 122 Cb -0.43 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.21 3k4k s VAL 122 CO 0.53 -0.14 0.37 -0.69 0.00 0.00 0.00 175.10 175.17 3k4k s VAL 123 N 2.07 4.39 -0.82 2.92 1.01 -1.26 -4.92 120.40 123.79 3k4k s VAL 123 Ca 0.13 -1.74 0.10 0.00 0.00 0.00 0.00 61.98 60.46 3k4k s VAL 123 Cb -0.16 -3.88 0.28 0.00 0.00 0.00 0.00 36.38 32.62 3k4k s VAL 123 CO 0.12 -0.79 1.24 -0.90 0.00 0.00 0.00 175.10 174.76 3k4k n ASP 124 N 4.96 2.86 -1.45 3.32 5.68 -1.26 -4.37 116.55 126.30 3k4k n ASP 124 Ca -0.09 -2.03 0.08 0.00 -0.50 0.00 0.00 54.79 52.25 3k4k n ASP 124 Cb 0.41 -0.22 0.34 0.00 -1.14 0.00 0.00 41.12 40.51 3k4k n ASP 124 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k4k n THR 125 N 0.39 2.37 -1.82 2.12 -2.24 -1.26 -4.98 114.28 108.85 3k4k n THR 125 Ca 0.11 -1.51 -0.37 0.00 -2.27 0.00 0.00 64.05 60.01 3k4k n THR 125 Cb 0.42 -0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.54 3k4k n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4k s LEU 126 N -2.54 3.70 0.46 3.22 1.43 -1.26 -4.96 118.68 118.72 3k4k s LEU 126 Ca 0.48 2.62 -0.25 0.00 -1.03 0.00 0.00 54.13 55.95 3k4k s LEU 126 Cb 0.36 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 42.01 3k4k s LEU 126 CO 0.15 -1.75 1.43 -0.55 0.23 0.00 0.00 176.35 175.86 3k4k s SER 127 N -1.28 5.78 0.56 2.29 0.15 -1.26 -4.88 113.70 115.06 3k4k s SER 127 Ca 0.78 2.93 0.31 0.00 0.70 0.00 0.00 55.95 60.67 3k4k s SER 127 Cb -0.37 -2.65 1.45 0.00 -1.71 0.00 0.00 66.02 62.74 3k4k s SER 127 CO 0.41 -1.24 1.82 -0.65 1.20 0.00 0.00 173.24 174.78 3k4k h PRO 128 N 2.22 0.00 0.00 5.44 0.11 -1.98 -1.08 132.00 136.71 3k4k h PRO 128 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3k4k h PRO 128 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3k4k h PRO 128 CO 0.61 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.19 3k4k h THR 129 N 0.00 0.00 -3.92 -1.15 1.35 -2.03 -3.47 112.91 103.69 3k4k h THR 129 Ca 0.39 -0.76 -0.48 0.00 -0.55 0.00 0.00 66.41 65.00 3k4k h THR 129 Cb 1.75 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 69.93 3k4k h THR 129 CO -0.00 0.00 0.41 -0.44 -0.25 0.00 0.00 175.52 175.23 3k4k s SER 130 N -5.60 6.99 0.19 5.36 0.01 -0.41 -4.96 113.70 115.28 3k4k s SER 130 Ca 0.07 2.03 -0.32 0.00 1.31 0.00 0.00 55.95 59.04 3k4k s SER 130 Cb 0.08 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 3k4k s SER 130 CO 0.62 -0.33 1.68 0.86 0.41 0.00 0.00 173.24 176.49 3k4k s TRP 131 N -1.56 2.92 -0.08 2.43 -0.00 -1.26 -4.91 118.94 116.47 3k4k s TRP 131 Ca 0.54 0.41 0.02 0.00 -0.00 0.00 0.00 56.10 57.07 3k4k s TRP 131 Cb -0.23 -4.08 0.01 0.00 -0.00 0.00 0.00 33.47 29.18 3k4k s TRP 131 CO 0.29 -4.07 -0.14 -1.14 -0.00 0.00 0.00 176.95 171.89 3k4k s GLN 132 N 1.25 1.98 0.50 5.86 0.74 -1.26 -5.10 119.66 123.62 3k4k s GLN 132 Ca 0.74 -0.50 -0.23 0.00 0.05 0.00 0.00 55.36 55.41 3k4k s GLN 132 Cb -0.48 -1.62 -0.06 0.00 1.10 0.00 0.00 33.01 31.95 3k4k s GLN 132 CO 0.32 0.03 1.37 0.00 -0.55 0.00 0.00 175.29 176.46 3k4k s ALA 133 N 0.70 3.01 -0.58 1.58 0.00 -1.26 -4.96 121.76 120.25 3k4k s ALA 133 Ca -0.13 1.36 0.22 0.00 0.00 0.00 0.00 51.96 53.41 3k4k s ALA 133 Cb -0.16 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 3k4k s ALA 133 CO 0.03 -1.23 0.92 0.43 0.00 0.00 0.00 175.76 175.91 3k4k n SER 134 N -0.61 0.59 -4.11 0.00 7.64 -1.26 -5.02 113.62 110.85 3k4k n SER 134 Ca 0.08 -0.31 -0.11 0.00 1.01 0.00 0.00 58.87 59.54 3k4k n SER 134 Cb 0.44 1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 64.58 3k4k n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4k s THR 135 N -3.21 0.01 -1.19 0.44 -4.23 -1.26 -5.08 115.64 101.11 3k4k s THR 135 Ca 0.03 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 58.68 3k4k s THR 135 Cb 0.15 -2.34 0.20 0.00 1.34 0.00 0.00 72.50 71.85 3k4k s THR 135 CO 0.83 -0.02 1.40 0.49 -0.54 0.00 0.00 174.62 176.78 3k4k n PHE 136 N -0.31 4.82 -2.05 3.99 3.72 -1.26 -4.99 117.46 121.38 3k4k n PHE 136 Ca -0.00 -3.42 -0.28 0.00 -0.05 0.00 0.00 57.45 53.70 3k4k n PHE 136 Cb 0.64 -2.04 0.09 0.00 -0.94 0.00 0.00 39.48 37.23 3k4k n PHE 136 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3k4k s PHE 137 N 0.72 2.77 -0.36 1.38 -0.71 -1.26 -4.94 117.98 115.57 3k4k s PHE 137 Ca 0.40 0.55 -0.29 0.00 -1.04 0.00 0.00 56.93 56.54 3k4k s PHE 137 Cb -0.03 -3.42 0.02 0.00 -1.21 0.00 0.00 43.02 38.38 3k4k s PHE 137 CO -0.01 -1.71 1.19 0.08 -1.34 0.00 0.00 175.22 173.43 3k4k s VAL 138 N -3.46 4.26 0.15 -2.49 1.01 -1.26 -4.77 120.40 113.84 3k4k s VAL 138 Ca 0.62 1.40 0.09 0.00 0.00 0.00 0.00 61.98 64.09 3k4k s VAL 138 Cb -0.10 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3k4k s VAL 138 CO 0.47 -0.64 -0.21 -0.13 0.00 0.00 0.00 175.10 174.59 3k4k s ARG 139 N 4.13 1.27 -1.50 2.72 0.52 -1.26 -4.91 118.95 119.92 3k4k s ARG 139 Ca 0.51 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 54.25 3k4k s ARG 139 Cb -0.12 -1.46 0.08 0.00 0.52 0.00 0.00 34.95 33.96 3k4k s ARG 139 CO 0.24 0.32 0.91 0.09 0.02 0.00 0.00 175.30 176.87 3k4k n ASN 140 N 0.58 -4.87 -0.21 0.23 3.02 -1.26 -1.33 115.26 111.43 3k4k n ASN 140 Ca -0.15 -0.69 -0.03 0.00 -0.03 0.00 0.00 54.58 53.68 3k4k n ASN 140 Cb 0.55 -3.90 -0.01 0.00 -0.61 0.00 0.00 39.78 35.81 3k4k n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4k n GLY 141 N -1.63 0.58 3.74 7.41 0.00 -1.26 -5.03 105.19 109.00 3k4k n GLY 141 Ca 0.03 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3k4k n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4k s SER 142 N -2.43 4.08 -0.38 1.61 1.04 -0.44 -4.78 113.70 112.41 3k4k s SER 142 Ca 0.00 1.95 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 3k4k s SER 142 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.64 3k4k s SER 142 CO 0.00 -2.32 0.18 0.21 0.98 0.00 0.00 173.24 172.29 3k4k s ASN 143 N -3.11 5.49 0.13 7.02 2.47 0.13 -4.82 114.94 122.24 3k4k s ASN 143 Ca 0.63 -1.32 0.20 0.00 0.42 0.00 0.00 52.86 52.79 3k4k s ASN 143 Cb -0.19 -1.93 0.81 0.00 -1.45 0.00 0.00 41.25 38.49 3k4k s ASN 143 CO 0.56 -0.43 1.60 -0.81 -3.72 0.00 0.00 177.10 174.30 3k4k n PRO 144 N 4.86 0.10 0.25 0.43 -0.04 -1.26 -2.02 135.00 137.32 3k4k n PRO 144 Ca -0.11 0.32 0.15 0.00 -0.04 0.00 0.00 63.50 63.82 3k4k n PRO 144 Cb 0.44 -1.69 0.51 0.00 -0.04 0.00 0.00 33.50 32.72 3k4k n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4k h GLU 145 N 0.00 0.00 -5.80 0.54 4.39 -1.96 -3.45 114.58 108.30 3k4k h GLU 145 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 3k4k h GLU 145 Cb 0.33 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.89 3k4k h GLU 145 CO 0.00 0.04 0.39 -1.14 -1.16 0.00 0.00 179.01 177.14 3k4k s GLN 146 N -3.53 4.21 -0.21 2.33 2.00 -0.86 -5.00 119.66 118.61 3k4k s GLN 146 Ca 0.03 0.90 -0.29 0.00 -2.00 0.00 0.00 55.36 53.99 3k4k s GLN 146 Cb 0.08 -3.62 -0.02 0.00 0.80 0.00 0.00 33.01 30.25 3k4k s GLN 146 CO 0.59 -0.43 1.50 0.34 -0.50 0.00 0.00 175.29 176.80 3k4k s ASP 147 N 1.28 6.56 0.62 6.67 -1.08 -1.26 -4.68 116.67 124.77 3k4k s ASP 147 Ca 0.34 1.62 0.38 0.00 -0.52 0.00 0.00 52.55 54.37 3k4k s ASP 147 Cb -0.16 -2.53 2.04 0.00 -1.46 0.00 0.00 42.92 40.81 3k4k s ASP 147 CO 0.09 -1.11 2.26 1.55 0.52 0.00 0.00 175.17 178.48 3k4k h PRO 148 N 9.91 0.00 -0.12 4.34 0.13 -1.95 -2.24 132.00 142.07 3k4k h PRO 148 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3k4k h PRO 148 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3k4k h PRO 148 CO 1.00 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 3k4k n LEU 149 N -3.31 2.34 -2.64 1.56 4.77 -1.26 -4.20 117.00 114.25 3k4k n LEU 149 Ca -0.02 -0.87 -0.08 0.00 -0.03 0.00 0.00 56.01 55.01 3k4k n LEU 149 Cb 0.13 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3k4k n LEU 149 CO 0.24 0.43 0.00 0.54 -1.33 0.00 0.00 177.39 177.28 3k4k n ARG 150 N 0.80 1.97 -4.20 3.23 1.74 -0.84 -4.98 116.66 114.38 3k4k n ARG 150 Ca 0.17 -3.61 -0.23 0.00 -0.77 0.00 0.00 57.85 53.41 3k4k n ARG 150 Cb 0.47 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3k4k n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4k s ASN 151 N -3.57 4.72 -1.02 0.55 2.47 -1.23 -1.23 114.94 115.64 3k4k s ASN 151 Ca 0.32 -0.64 -0.05 0.00 0.42 0.00 0.00 52.86 52.91 3k4k s ASN 151 Cb 0.38 -0.87 0.27 0.00 -1.45 0.00 0.00 41.25 39.58 3k4k s ASN 151 CO -0.02 -0.12 1.10 0.18 -3.72 0.00 0.00 177.10 174.53 3k4k n LEU 152 N -1.03 5.30 0.24 3.21 4.77 -1.26 -4.82 117.00 123.41 3k4k n LEU 152 Ca -0.05 -5.14 0.07 0.00 -0.03 0.00 0.00 56.01 50.85 3k4k n LEU 152 Cb 0.60 -1.26 0.59 0.00 -2.33 0.00 0.00 43.42 41.01 3k4k n LEU 152 CO 0.42 1.55 0.99 0.77 -1.33 0.00 0.00 177.39 179.79 3k4k h SER 153 N 5.96 0.00 1.38 -1.43 4.64 -1.79 -1.58 113.55 120.72 3k4k h SER 153 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3k4k h SER 153 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3k4k h SER 153 CO 1.05 0.09 0.00 1.23 -0.87 0.00 0.00 176.83 178.33 3k4k h GLY 154 N 0.27 0.00 -4.38 -0.77 0.00 -0.99 -3.45 103.07 93.74 3k4k h GLY 154 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.78 3k4k h GLY 154 CO 0.01 0.00 0.82 -1.06 0.00 0.00 0.00 176.54 176.31 3k4k n GLN 155 N -2.63 2.55 -3.92 4.80 1.13 -0.60 -3.56 117.38 115.16 3k4k n GLN 155 Ca 0.04 0.91 -0.10 0.00 -1.94 0.00 0.00 57.00 55.91 3k4k n GLN 155 Cb 0.39 -2.66 -0.06 0.00 0.11 0.00 0.00 30.24 28.02 3k4k n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k4k s ALA 156 N -0.05 -0.22 0.14 -1.58 0.00 -1.26 -0.99 121.76 117.79 3k4k s ALA 156 Ca 0.65 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.91 3k4k s ALA 156 Cb -0.53 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3k4k s ALA 156 CO 0.49 -0.71 -0.11 0.14 0.00 0.00 0.00 175.76 175.57 3k4k s VAL 157 N -3.96 1.24 -0.14 0.00 -7.23 -0.09 -4.84 120.40 105.37 3k4k s VAL 157 Ca 0.16 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3k4k s VAL 157 Cb 0.02 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.24 3k4k s VAL 157 CO 0.01 -0.64 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.18 3k4k s THR 158 N -2.95 1.20 -0.71 5.32 2.01 -1.25 -1.15 115.64 118.10 3k4k s THR 158 Ca 0.14 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 3k4k s THR 158 Cb 0.00 -1.25 0.18 0.00 0.01 0.00 0.00 72.50 71.44 3k4k s THR 158 CO 0.02 0.30 0.53 -0.13 -0.69 0.00 0.00 174.62 174.65 3k4k s ARG 159 N 1.62 2.72 0.02 4.92 0.52 -1.26 -4.58 118.95 122.91 3k4k s ARG 159 Ca 0.03 -2.88 -0.19 0.00 -0.52 0.00 0.00 55.73 52.17 3k4k s ARG 159 Cb -0.14 -3.72 0.04 0.00 0.52 0.00 0.00 34.95 31.65 3k4k s ARG 159 CO -0.09 -1.21 0.42 0.14 0.02 0.00 0.00 175.30 174.58 3k4k s VAL 160 N -0.67 0.05 0.16 3.52 -7.23 -1.26 -4.35 120.40 110.62 3k4k s VAL 160 Ca 0.21 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.66 3k4k s VAL 160 Cb -0.15 -0.88 -0.11 0.00 0.56 0.00 0.00 36.38 35.80 3k4k s VAL 160 CO -0.07 -0.22 1.74 -0.69 -0.31 0.00 0.00 175.10 175.54 3k4k s VAL 161 N -2.08 2.37 0.00 1.32 1.01 -0.43 -0.61 120.40 121.98 3k4k s VAL 161 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3k4k s VAL 161 Cb -0.02 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3k4k s VAL 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3k4k n GLY 162 N 4.06 0.87 7.00 4.51 0.00 -0.96 -4.23 105.19 116.44 3k4k n GLY 162 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3k4k n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4k n GLY 163 N -2.00 2.40 0.03 -0.02 0.00 0.22 -2.05 105.19 103.77 3k4k n GLY 163 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.80 3k4k n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4k n MET 164 N 14.00 0.05 0.00 1.61 2.81 -1.26 -2.63 117.12 131.70 3k4k n MET 164 Ca 0.00 0.20 0.12 0.00 -1.81 0.00 0.00 57.70 56.21 3k4k n MET 164 Cb 0.00 -1.58 0.63 0.00 -0.71 0.00 0.00 33.22 31.57 3k4k n MET 164 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k4k n SER 165 N -1.67 0.00 0.03 7.83 3.41 -0.87 -1.46 113.62 120.90 3k4k n SER 165 Ca 0.04 -0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 3k4k n SER 165 Cb 0.25 -0.28 0.52 0.00 -0.26 0.00 0.00 64.21 64.44 3k4k n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4k n THR 166 N -1.28 0.33 0.00 6.66 -2.24 -1.08 -4.23 114.28 112.44 3k4k n THR 166 Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3k4k n THR 166 Cb 0.20 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3k4k n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4k n HIS 167 N -1.70 0.00 -0.59 4.78 1.44 -0.84 -0.68 115.22 117.63 3k4k n HIS 167 Ca 0.06 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.47 3k4k n HIS 167 Cb 0.33 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.64 3k4k n HIS 167 CO 0.00 0.00 0.00 -2.67 -2.81 0.00 0.00 176.34 170.86 3k4k n TRP 168 N -0.38 -0.44 1.11 -1.40 4.27 -0.53 -4.94 117.44 115.13 3k4k n TRP 168 Ca 0.00 0.12 0.14 0.00 -3.89 0.00 0.00 57.50 53.86 3k4k n TRP 168 Cb 0.00 -1.82 0.60 0.00 -1.36 0.00 0.00 31.31 28.74 3k4k n TRP 168 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 3k4k n THR 169 N -4.56 0.00 -1.11 -1.67 -1.04 -1.26 -4.93 114.28 99.70 3k4k n THR 169 Ca 0.07 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.03 3k4k n THR 169 Cb 0.54 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.64 3k4k n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4k s ALA 171 N -1.90 3.59 -0.44 0.00 0.00 -1.26 -0.44 121.76 121.30 3k4k s ALA 171 Ca 0.00 0.84 0.09 0.00 0.00 0.00 0.00 51.96 52.89 3k4k s ALA 171 Cb 0.00 -3.61 0.29 0.00 0.00 0.00 0.00 23.12 19.80 3k4k s ALA 171 CO 0.00 -0.99 0.67 0.25 0.00 0.00 0.00 175.76 175.69 3k4k n THR 172 N 4.82 0.35 -2.28 0.00 -2.24 0.17 -4.83 114.28 110.26 3k4k n THR 172 Ca 0.14 -4.54 -0.33 0.00 -2.27 0.00 0.00 64.05 57.04 3k4k n THR 172 Cb 0.44 -1.41 -0.01 0.00 -2.10 0.00 0.00 70.33 67.24 3k4k n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4k s PRO 173 N -2.01 3.57 0.52 -0.78 0.04 -1.26 -4.79 135.00 130.30 3k4k s PRO 173 Ca 0.39 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 3k4k s PRO 173 Cb 0.23 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 3k4k s PRO 173 CO -0.09 -0.61 1.01 1.03 0.04 0.00 0.00 177.00 178.39 3k4k s ARG 174 N -3.74 3.78 0.06 4.56 0.52 -1.26 -4.70 118.95 118.18 3k4k s ARG 174 Ca 0.65 1.14 -0.23 0.00 -0.52 0.00 0.00 55.73 56.76 3k4k s ARG 174 Cb -0.15 -2.10 -0.06 0.00 0.52 0.00 0.00 34.95 33.15 3k4k s ARG 174 CO 0.29 -0.42 0.68 -0.06 0.02 0.00 0.00 175.30 175.82 3k4k s PHE 175 N -2.37 3.77 0.81 -0.53 0.08 -1.26 -5.01 117.98 113.47 3k4k s PHE 175 Ca 0.62 1.40 -0.12 0.00 0.12 0.00 0.00 56.93 58.95 3k4k s PHE 175 Cb -0.13 -2.69 0.08 0.00 -0.57 0.00 0.00 43.02 39.71 3k4k s PHE 175 CO 0.28 0.41 1.10 0.16 -0.10 0.00 0.00 175.22 177.06 3k4k s ASP 176 N -0.52 4.39 0.35 1.36 -4.77 -1.26 -4.82 116.67 111.39 3k4k s ASP 176 Ca 0.34 1.27 0.10 0.00 -3.30 0.00 0.00 52.55 50.96 3k4k s ASP 176 Cb -0.20 -1.99 0.84 0.00 -1.09 0.00 0.00 42.92 40.48 3k4k s ASP 176 CO 0.21 -2.03 1.84 0.03 0.70 0.00 0.00 175.17 175.92 3k4k h ARG 177 N -1.13 0.65 -0.64 2.11 3.08 -1.98 -1.82 114.38 114.64 3k4k h ARG 177 Ca -0.47 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 59.67 3k4k h ARG 177 Cb 1.27 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 3k4k h ARG 177 CO 0.59 0.43 0.44 1.49 -1.07 0.00 0.00 179.97 181.85 3k4k h GLU 178 N 0.67 0.29 0.00 0.04 4.81 -1.98 -2.62 114.58 115.79 3k4k h GLU 178 Ca 0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 3k4k h GLU 178 Cb 0.84 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3k4k h GLU 178 CO -0.24 0.20 -1.25 1.04 -0.73 0.00 0.00 179.01 178.03 3k4k n GLN 179 N -4.45 0.26 -3.37 1.92 6.02 -0.72 -4.88 117.38 112.16 3k4k n GLN 179 Ca 0.12 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.67 3k4k n GLN 179 Cb 0.50 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 3k4k n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4k s ARG 180 N -3.20 4.18 0.44 -1.09 3.52 -0.99 -4.58 118.95 117.24 3k4k s ARG 180 Ca 0.03 0.48 -0.25 0.00 -0.13 0.00 0.00 55.73 55.86 3k4k s ARG 180 Cb 0.15 -3.33 -0.08 0.00 -1.56 0.00 0.00 34.95 30.13 3k4k s ARG 180 CO 0.85 0.41 1.37 -2.14 -0.81 0.00 0.00 175.30 174.98 3k4k s PRO 181 N -0.23 3.74 0.18 5.12 0.02 -1.26 -4.95 135.00 137.61 3k4k s PRO 181 Ca 0.26 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 3k4k s PRO 181 Cb -0.16 -2.64 -0.07 0.00 0.02 0.00 0.00 34.50 31.64 3k4k s PRO 181 CO 0.13 -0.73 1.06 -0.51 -0.33 0.00 0.00 177.00 176.61 3k4k s LEU 182 N -2.71 4.51 -0.09 -5.54 1.43 -1.26 -4.93 118.68 110.09 3k4k s LEU 182 Ca 0.61 2.03 0.12 0.00 -1.03 0.00 0.00 54.13 55.85 3k4k s LEU 182 Cb -0.41 -3.60 -0.17 0.00 0.03 0.00 0.00 46.19 42.03 3k4k s LEU 182 CO 0.52 -0.15 0.12 0.18 0.23 0.00 0.00 176.35 177.26 3k4k n LEU 183 N 2.29 0.00 -4.11 1.79 4.77 -1.26 -4.93 117.00 115.56 3k4k n LEU 183 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 3k4k n LEU 183 Cb 0.47 0.22 -0.16 0.00 -2.33 0.00 0.00 43.42 41.61 3k4k n LEU 183 CO 0.53 0.22 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.62 3k4k s VAL 184 N -2.51 1.41 0.20 4.08 1.01 -1.26 -5.02 120.40 118.31 3k4k s VAL 184 Ca -0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3k4k s VAL 184 Cb 0.05 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3k4k s VAL 184 CO 0.54 0.41 0.44 -1.59 0.00 0.00 0.00 175.10 174.90 3k4k s LYS 185 N 0.30 3.62 -1.70 2.72 -2.85 -1.26 -4.44 119.74 116.13 3k4k s LYS 185 Ca -0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 55.97 54.78 3k4k s LYS 185 Cb -0.14 -2.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.85 3k4k s LYS 185 CO 0.04 0.38 0.10 -0.25 0.10 0.00 0.00 175.35 175.71 3k4k n ASP 186 N -0.33 -5.83 -2.86 0.03 8.00 -1.26 -4.90 116.55 109.40 3k4k n ASP 186 Ca -0.02 -0.06 -0.02 0.00 0.71 0.00 0.00 54.79 55.40 3k4k n ASP 186 Cb 0.53 -4.81 0.01 0.00 -0.02 0.00 0.00 41.12 36.82 3k4k n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4k s ASP 187 N -2.18 -1.08 0.38 -2.24 -1.08 -1.26 -5.02 116.67 104.19 3k4k s ASP 187 Ca 0.05 -0.98 0.05 0.00 -0.52 0.00 0.00 52.55 51.14 3k4k s ASP 187 Cb -0.02 1.41 0.76 0.00 -1.46 0.00 0.00 42.92 43.61 3k4k s ASP 187 CO 0.06 -0.07 2.03 0.00 0.52 0.00 0.00 175.17 177.71 3k4k h ALA 188 N 5.43 1.65 -0.41 3.66 0.00 -1.90 -0.33 119.26 127.36 3k4k h ALA 188 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3k4k h ALA 188 Cb 1.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3k4k h ALA 188 CO -0.00 0.32 0.11 -0.44 0.00 0.00 0.00 179.25 179.24 3k4k h ASP 189 N 0.69 0.61 -0.39 0.00 5.19 -1.98 0.27 116.42 120.81 3k4k h ASP 189 Ca 0.19 -0.22 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 3k4k h ASP 189 Cb -0.06 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 3k4k h ASP 189 CO -0.04 0.67 -0.17 0.00 -3.12 0.00 0.00 179.24 176.58 3k4k h ALA 190 N 0.96 0.85 -0.30 3.45 0.00 -1.84 -0.41 119.26 121.96 3k4k h ALA 190 Ca 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3k4k h ALA 190 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3k4k h ALA 190 CO -0.00 0.64 0.13 0.22 0.00 0.00 0.00 179.25 180.24 3k4k h ASP 191 N 0.77 0.41 -0.68 0.00 3.58 -0.84 -1.52 116.42 118.14 3k4k h ASP 191 Ca 0.11 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.43 3k4k h ASP 191 Cb 0.70 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 3k4k h ASP 191 CO 0.05 0.45 0.43 0.44 -2.88 0.00 0.00 179.24 177.74 3k4k h ASP 192 N 0.35 0.73 -0.41 2.28 3.32 -0.25 -1.19 116.42 121.24 3k4k h ASP 192 Ca 0.10 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 3k4k h ASP 192 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3k4k h ASP 192 CO -0.01 0.51 -0.18 0.00 -1.72 0.00 0.00 179.24 177.84 3k4k h ALA 193 N 1.27 0.81 -0.11 3.45 0.00 -0.87 -0.17 119.26 123.64 3k4k h ALA 193 Ca 0.26 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3k4k h ALA 193 Cb -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3k4k h ALA 193 CO -0.09 0.65 -0.02 1.49 0.00 0.00 0.00 179.25 181.29 3k4k h GLU 194 N 0.79 0.21 -0.81 0.00 4.57 -0.97 -1.91 114.58 116.45 3k4k h GLU 194 Ca 0.11 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3k4k h GLU 194 Cb 0.72 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 3k4k h GLU 194 CO 0.06 0.50 0.45 -1.49 -1.18 0.00 0.00 179.01 177.35 3k4k h TRP 195 N -0.09 1.11 -0.82 0.92 4.06 -1.04 -1.27 115.95 118.81 3k4k h TRP 195 Ca 0.03 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3k4k h TRP 195 Cb 0.41 -0.36 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3k4k h TRP 195 CO 0.05 0.77 0.49 0.22 -3.56 0.00 0.00 178.44 176.41 3k4k h ASP 196 N 1.13 0.98 -0.00 -3.49 3.58 -0.93 0.46 116.42 118.15 3k4k h ASP 196 Ca 0.29 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3k4k h ASP 196 Cb 0.02 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 3k4k h ASP 196 CO -0.05 0.75 -0.00 -0.09 -2.88 0.00 0.00 179.24 176.98 3k4k h ARG 197 N 1.13 0.01 -0.18 0.28 2.43 -0.90 -1.18 114.38 115.97 3k4k h ARG 197 Ca 0.29 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3k4k h ARG 197 Cb -0.05 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3k4k h ARG 197 CO -0.06 0.35 0.08 -0.07 -1.51 0.00 0.00 179.97 178.76 3k4k h LEU 198 N -0.34 0.24 -0.93 3.80 3.38 -1.09 -1.95 115.31 118.43 3k4k h LEU 198 Ca 0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3k4k h LEU 198 Cb 0.34 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3k4k h LEU 198 CO 0.00 0.32 0.60 1.88 0.09 0.00 0.00 178.44 181.32 3k4k h TYR 199 N 0.14 1.11 -0.74 1.13 0.05 -0.91 0.15 116.97 117.90 3k4k h TYR 199 Ca 0.06 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 3k4k h TYR 199 Cb 0.15 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 3k4k h TYR 199 CO -0.02 0.61 0.30 1.15 -1.05 0.00 0.00 178.16 179.16 3k4k h THR 200 N 1.12 1.25 -0.46 -2.88 2.02 -1.06 0.17 112.91 113.07 3k4k h THR 200 Ca 0.38 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 3k4k h THR 200 Cb 0.08 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3k4k h THR 200 CO -0.14 0.31 0.06 0.50 0.37 0.00 0.00 175.52 176.62 3k4k h LYS 201 N 1.06 0.77 -0.59 6.66 3.64 -0.79 -1.17 116.57 126.14 3k4k h LYS 201 Ca 0.25 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3k4k h LYS 201 Cb 0.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3k4k h LYS 201 CO -0.02 0.79 0.02 0.00 -2.27 0.00 0.00 179.45 177.97 3k4k h ALA 202 N 0.95 0.92 -0.28 5.00 0.00 -0.53 -0.91 119.26 124.39 3k4k h ALA 202 Ca 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3k4k h ALA 202 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k4k h ALA 202 CO 0.01 0.65 0.06 0.93 0.00 0.00 0.00 179.25 180.91 3k4k h GLU 203 N 0.94 0.40 -0.20 0.00 5.08 -0.50 -0.47 114.58 119.83 3k4k h GLU 203 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3k4k h GLU 203 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3k4k h GLU 203 CO 0.02 0.38 0.01 1.03 -1.00 0.00 0.00 179.01 179.45 3k4k h SER 204 N 0.40 0.33 -0.44 1.42 0.87 -0.12 0.33 113.55 116.34 3k4k h SER 204 Ca 0.10 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3k4k h SER 204 Cb 0.17 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3k4k h SER 204 CO -0.00 0.55 0.28 1.88 -0.53 0.00 0.00 176.83 179.00 3k4k h TYR 205 N 0.11 0.52 -0.00 2.24 -1.99 -0.73 -2.09 116.97 115.03 3k4k h TYR 205 Ca 0.06 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3k4k h TYR 205 Cb 0.37 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3k4k h TYR 205 CO 0.03 0.31 -0.06 1.19 -0.00 0.00 0.00 178.16 179.64 3k4k n PHE 206 N -4.81 0.00 -3.61 4.88 3.72 -0.23 -4.05 117.46 113.36 3k4k n PHE 206 Ca 0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 3k4k n PHE 206 Cb 0.04 -0.36 0.07 0.00 -0.94 0.00 0.00 39.48 38.29 3k4k n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4k n GLN 207 N -1.35 -6.56 -2.09 -1.08 1.13 0.00 -4.09 117.38 103.34 3k4k n GLN 207 Ca 0.10 0.76 -0.41 0.00 -1.94 0.00 0.00 57.00 55.52 3k4k n GLN 207 Cb 0.30 -5.69 -0.02 0.00 0.11 0.00 0.00 30.24 24.94 3k4k n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4k s THR 208 N -3.40 2.71 0.17 5.09 2.01 -0.59 -2.55 115.64 119.08 3k4k s THR 208 Ca 0.28 0.68 -0.13 0.00 0.31 0.00 0.00 61.69 62.83 3k4k s THR 208 Cb -0.13 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.96 3k4k s THR 208 CO 0.76 0.15 0.40 -0.83 -0.69 0.00 0.00 174.62 174.41 3k4k s GLY 209 N -0.29 0.13 -0.08 4.40 0.00 -0.02 -4.93 107.32 106.54 3k4k s GLY 209 Ca 0.51 -0.50 0.12 0.00 0.00 0.00 0.00 44.72 44.85 3k4k s GLY 209 CO 0.51 -0.53 1.08 -1.30 0.00 0.00 0.00 173.10 172.86 3k4k n THR 210 N -0.27 1.22 -0.05 0.90 -2.24 -1.26 -1.07 114.28 111.52 3k4k n THR 210 Ca -0.10 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 3k4k n THR 210 Cb 0.63 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3k4k n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4k n ASP 211 N -0.91 0.63 0.12 3.42 5.75 -1.26 -4.64 116.55 119.66 3k4k n ASP 211 Ca 0.10 -0.83 0.12 0.00 -0.01 0.00 0.00 54.79 54.17 3k4k n ASP 211 Cb 0.63 0.30 0.48 0.00 -1.03 0.00 0.00 41.12 41.50 3k4k n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4k n GLN 212 N -0.30 0.20 -0.03 0.11 3.00 -1.26 -3.03 117.38 116.07 3k4k n GLN 212 Ca 0.00 0.39 0.03 0.00 -0.01 0.00 0.00 57.00 57.41 3k4k n GLN 212 Cb 0.01 -1.86 0.04 0.00 0.00 0.00 0.00 30.24 28.44 3k4k n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4k n PHE 213 N -2.23 0.00 0.24 1.08 3.01 -1.26 -4.83 117.46 113.46 3k4k n PHE 213 Ca 0.03 -0.64 0.14 0.00 1.01 0.00 0.00 57.45 57.99 3k4k n PHE 213 Cb 0.26 -0.08 0.81 0.00 -0.01 0.00 0.00 39.48 40.46 3k4k n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4k h LYS 214 N 0.00 0.00 -0.67 -1.08 2.10 -1.87 -2.25 116.57 112.80 3k4k h LYS 214 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 3k4k h LYS 214 Cb 0.68 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.96 3k4k h LYS 214 CO 0.00 0.00 0.11 -1.91 -2.00 0.00 0.00 179.45 175.65 3k4k n GLU 215 N -4.04 4.30 -2.80 0.07 2.13 -1.26 -4.91 120.64 114.11 3k4k n GLU 215 Ca -0.01 -2.98 -0.42 0.00 0.66 0.00 0.00 57.16 54.42 3k4k n GLU 215 Cb 0.20 -2.22 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 3k4k n GLU 215 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3k4k s SER 216 N -0.81 7.01 0.17 4.31 0.15 -0.85 -4.85 113.70 118.83 3k4k s SER 216 Ca 0.52 1.25 -0.15 0.00 0.70 0.00 0.00 55.95 58.28 3k4k s SER 216 Cb 0.41 -2.49 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 3k4k s SER 216 CO 0.14 -0.49 1.78 0.40 1.20 0.00 0.00 173.24 176.27 3k4k h ILE 217 N 5.28 0.96 -0.43 6.45 2.04 -1.91 -2.06 117.51 127.84 3k4k h ILE 217 Ca -0.26 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 3k4k h ILE 217 Cb 1.11 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3k4k h ILE 217 CO 0.88 0.08 -0.17 0.03 0.00 0.00 0.00 178.15 178.96 3k4k h ARG 218 N 0.42 0.87 -0.21 2.37 3.08 -1.93 0.11 114.38 119.09 3k4k h ARG 218 Ca 0.19 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.91 3k4k h ARG 218 Cb 0.11 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3k4k h ARG 218 CO -0.14 1.01 -0.04 1.25 -1.07 0.00 0.00 179.97 180.98 3k4k h HIS 219 N 0.70 -0.09 -0.05 3.04 2.76 -1.79 -1.80 115.15 117.92 3k4k h HIS 219 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3k4k h HIS 219 Cb 0.73 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 3k4k h HIS 219 CO 0.05 -0.08 0.02 -0.91 -1.30 0.00 0.00 177.93 175.71 3k4k h ASN 220 N 0.01 0.02 -0.55 3.26 2.35 -1.07 -1.27 115.58 118.33 3k4k h ASN 220 Ca 0.10 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.96 3k4k h ASN 220 Cb 0.15 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.43 3k4k h ASN 220 CO -0.21 0.02 0.06 0.25 -1.65 0.00 0.00 177.43 175.91 3k4k h LEU 221 N 0.04 -0.11 0.66 1.61 5.85 -0.47 0.50 115.31 123.39 3k4k h LEU 221 Ca 0.02 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3k4k h LEU 221 Cb 0.01 0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.23 3k4k h LEU 221 CO -0.02 -0.03 -0.32 0.58 -0.34 0.00 0.00 178.44 178.31 3k4k h VAL 222 N 0.18 0.11 -0.30 1.05 2.07 -1.26 -3.06 116.25 115.04 3k4k h VAL 222 Ca 0.28 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3k4k h VAL 222 Cb 0.43 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3k4k h VAL 222 CO -0.41 0.02 0.10 0.25 0.02 0.00 0.00 177.57 177.54 3k4k h LEU 223 N -1.17 0.09 -1.49 2.57 6.46 -1.04 -1.95 115.31 118.78 3k4k h LEU 223 Ca -0.09 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.65 3k4k h LEU 223 Cb 0.70 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 3k4k h LEU 223 CO 0.15 0.09 -0.25 0.78 -0.62 0.00 0.00 178.44 178.58 3k4k h ASN 224 N 0.22 0.00 -0.03 1.25 2.35 -1.03 -0.87 115.58 117.48 3k4k h ASN 224 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3k4k h ASN 224 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3k4k h ASN 224 CO -0.15 0.25 -0.18 0.50 -1.65 0.00 0.00 177.43 176.20 3k4k h LYS 225 N 0.00 0.18 -0.40 0.81 1.63 -1.36 -3.08 116.57 114.36 3k4k h LYS 225 Ca -0.00 -0.15 -0.04 0.00 -0.85 0.00 0.00 60.65 59.61 3k4k h LYS 225 Cb 0.45 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3k4k h LYS 225 CO 0.03 0.82 0.10 -0.07 -3.45 0.00 0.00 179.45 176.88 3k4k h LEU 226 N -0.40 0.60 -1.66 5.20 3.38 -1.09 -2.73 115.31 118.61 3k4k h LEU 226 Ca -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3k4k h LEU 226 Cb 0.85 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3k4k h LEU 226 CO 0.04 0.67 -0.18 0.00 0.09 0.00 0.00 178.44 179.07 3k4k h THR 227 N 0.50 1.09 0.00 0.22 1.03 -1.23 0.14 112.91 114.65 3k4k h THR 227 Ca 0.12 -0.62 -0.02 0.00 -0.01 0.00 0.00 66.41 65.89 3k4k h THR 227 Cb 0.31 1.34 -0.00 0.00 -1.07 0.00 0.00 68.15 68.72 3k4k h THR 227 CO 0.00 0.17 -0.10 -0.33 -0.01 0.00 0.00 175.52 175.26 3k4k h GLU 228 N 0.00 0.00 -0.01 0.00 5.08 -1.39 -3.30 114.58 114.97 3k4k h GLU 228 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k4k h GLU 228 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3k4k h GLU 228 CO 0.02 0.10 -0.63 0.39 -1.00 0.00 0.00 179.01 177.89 3k4k n GLU 229 N -3.45 0.73 -0.51 2.33 -0.58 0.03 -4.36 120.64 114.83 3k4k n GLU 229 Ca -0.01 -0.59 0.08 0.00 -0.42 0.00 0.00 57.16 56.22 3k4k n GLU 229 Cb 0.25 -1.49 0.28 0.00 -0.57 0.00 0.00 31.44 29.91 3k4k n GLU 229 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3k4k n TYR 230 N -0.62 1.14 -1.64 -0.32 4.02 -1.21 -4.95 117.16 113.57 3k4k n TYR 230 Ca 0.08 -0.79 -0.16 0.00 -0.01 0.00 0.00 57.90 57.02 3k4k n TYR 230 Cb 0.41 -0.31 -0.05 0.00 -0.02 0.00 0.00 39.34 39.36 3k4k n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4k n LYS 231 N -0.06 -1.14 -0.96 -0.72 5.02 -1.26 -1.33 118.16 117.71 3k4k n LYS 231 Ca 0.22 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 3k4k n LYS 231 Cb 0.90 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 3k4k n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4k n GLY 232 N -1.02 0.45 0.24 0.72 0.00 -1.26 -4.88 105.19 99.43 3k4k n GLY 232 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3k4k n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4k n GLN 233 N -1.87 0.61 -3.85 1.61 1.13 -0.44 -4.74 117.38 109.82 3k4k n GLN 233 Ca 0.00 -0.48 -0.28 0.00 -1.94 0.00 0.00 57.00 54.30 3k4k n GLN 233 Cb 0.11 -1.49 -0.17 0.00 0.11 0.00 0.00 30.24 28.80 3k4k n GLN 233 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k4k s ARG 234 N -2.72 1.21 0.21 -1.09 0.52 -1.26 -5.12 118.95 110.70 3k4k s ARG 234 Ca 0.15 -0.45 -0.26 0.00 -0.52 0.00 0.00 55.73 54.64 3k4k s ARG 234 Cb 0.17 -1.94 -0.08 0.00 0.52 0.00 0.00 34.95 33.62 3k4k s ARG 234 CO 0.69 -0.46 0.83 -0.51 0.02 0.00 0.00 175.30 175.86 3k4k s ASP 235 N 1.70 7.42 -0.08 0.23 1.01 -1.26 -4.88 116.67 120.81 3k4k s ASP 235 Ca 0.01 1.72 0.03 0.00 0.71 0.00 0.00 52.55 55.01 3k4k s ASP 235 Cb -0.15 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 3k4k s ASP 235 CO -0.07 0.15 -0.15 -0.36 0.21 0.00 0.00 175.17 174.95 3k4k s PHE 236 N -1.24 2.70 0.32 4.23 0.40 -1.26 -4.27 117.98 118.86 3k4k s PHE 236 Ca 0.39 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 3k4k s PHE 236 Cb -0.23 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 3k4k s PHE 236 CO 0.27 -0.01 0.31 1.14 0.70 0.00 0.00 175.22 177.63 3k4k s GLN 237 N -0.27 1.72 0.31 0.44 -2.07 -0.11 -4.98 119.66 114.70 3k4k s GLN 237 Ca 0.01 -1.90 -0.29 0.00 -1.82 0.00 0.00 55.36 51.37 3k4k s GLN 237 Cb -0.13 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 32.04 3k4k s GLN 237 CO 0.03 -0.65 1.18 -1.14 -1.32 0.00 0.00 175.29 173.39 3k4k s GLN 238 N -3.45 4.46 0.10 9.60 0.74 -1.26 -1.49 119.66 128.37 3k4k s GLN 238 Ca 0.38 1.95 -0.35 0.00 0.05 0.00 0.00 55.36 57.39 3k4k s GLN 238 Cb 0.02 -3.08 -0.14 0.00 1.10 0.00 0.00 33.01 30.91 3k4k s GLN 238 CO 0.24 0.00 1.55 -0.89 -0.55 0.00 0.00 175.29 175.64 3k4k n ILE 239 N 0.90 0.06 -1.99 -2.34 5.41 0.45 -4.77 119.36 117.08 3k4k n ILE 239 Ca -0.00 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 3k4k n ILE 239 Cb 0.44 -1.37 -0.03 0.00 -0.71 0.00 0.00 39.64 37.98 3k4k n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4k s PRO 240 N 1.17 4.20 -0.07 0.38 0.02 -1.26 -4.74 135.00 134.70 3k4k s PRO 240 Ca 0.82 2.25 0.04 0.00 0.02 0.00 0.00 61.00 64.13 3k4k s PRO 240 Cb -0.77 -3.72 -0.00 0.00 0.02 0.00 0.00 34.50 30.04 3k4k s PRO 240 CO 0.42 -0.75 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.62 3k4k s LEU 241 N 3.03 2.01 -0.94 -5.54 1.43 -0.23 -0.66 118.68 117.79 3k4k s LEU 241 Ca 0.73 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 3k4k s LEU 241 Cb -0.37 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.65 3k4k s LEU 241 CO 0.31 0.17 1.33 0.00 0.23 0.00 0.00 176.35 178.39 3k4k s ALA 242 N 0.18 2.87 -0.14 4.21 0.00 0.42 -0.84 121.76 128.46 3k4k s ALA 242 Ca -0.12 -2.20 -0.31 0.00 0.00 0.00 0.00 51.96 49.33 3k4k s ALA 242 Cb -0.16 -4.35 0.13 0.00 0.00 0.00 0.00 23.12 18.74 3k4k s ALA 242 CO 0.06 -3.39 1.08 0.00 0.00 0.00 0.00 175.76 173.51 3k4k s ALA 243 N 4.58 -1.97 -0.04 0.00 0.00 -1.06 -0.62 121.76 122.65 3k4k s ALA 243 Ca 0.40 1.48 -0.00 0.00 0.00 0.00 0.00 51.96 53.84 3k4k s ALA 243 Cb -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3k4k s ALA 243 CO -0.05 -0.49 0.01 0.99 0.00 0.00 0.00 175.76 176.21 3k4k s THR 244 N -2.05 0.22 0.11 0.00 2.01 -0.27 -4.56 115.64 111.09 3k4k s THR 244 Ca 0.05 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3k4k s THR 244 Cb -0.01 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 72.09 3k4k s THR 244 CO -0.04 0.19 1.12 -0.60 -0.69 0.00 0.00 174.62 174.59 3k4k s ARG 245 N 1.44 4.53 -0.09 4.92 3.52 -1.26 -0.04 118.95 131.97 3k4k s ARG 245 Ca -0.04 1.69 0.18 0.00 -0.13 0.00 0.00 55.73 57.42 3k4k s ARG 245 Cb -0.13 -3.33 -0.26 0.00 -1.56 0.00 0.00 34.95 29.67 3k4k s ARG 245 CO -0.03 -0.06 0.27 0.54 -0.81 0.00 0.00 175.30 175.21 3k4k n ARG 246 N 3.19 0.81 -3.85 5.12 5.12 -0.48 -4.90 116.66 121.67 3k4k n ARG 246 Ca 0.05 -0.10 -0.07 0.00 -1.93 0.00 0.00 57.85 55.80 3k4k n ARG 246 Cb 0.47 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.30 3k4k n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4k s SER 247 N -4.58 -0.24 0.40 0.55 1.04 -0.99 -4.95 113.70 104.92 3k4k s SER 247 Ca -0.08 -0.62 0.24 0.00 0.48 0.00 0.00 55.95 55.97 3k4k s SER 247 Cb 0.09 0.71 1.29 0.00 0.10 0.00 0.00 66.02 68.21 3k4k s SER 247 CO 0.76 -1.33 1.70 -0.65 0.98 0.00 0.00 173.24 174.70 3k4k h PRO 248 N 2.00 0.00 0.00 4.02 0.11 -2.01 -2.66 132.00 133.47 3k4k h PRO 248 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3k4k h PRO 248 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k4k h PRO 248 CO 0.24 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.28 3k4k n THR 249 N -2.37 0.32 -4.38 -1.15 -2.24 -1.26 -4.85 114.28 98.35 3k4k n THR 249 Ca -0.02 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.08 3k4k n THR 249 Cb 0.13 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.22 3k4k n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4k s PHE 250 N -0.32 1.05 -0.11 4.78 2.19 -1.00 -4.92 117.98 119.65 3k4k s PHE 250 Ca 0.00 -0.33 0.02 0.00 0.33 0.00 0.00 56.93 56.96 3k4k s PHE 250 Cb 0.00 -0.80 0.01 0.00 -1.31 0.00 0.00 43.02 40.92 3k4k s PHE 250 CO 0.00 -0.19 -0.18 0.08 1.83 0.00 0.00 175.22 176.76 3k4k s VAL 251 N 0.61 1.69 -0.72 3.12 1.01 -1.26 -1.38 120.40 123.47 3k4k s VAL 251 Ca -0.10 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 3k4k s VAL 251 Cb -0.13 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.80 3k4k s VAL 251 CO 0.02 0.48 1.06 -0.70 0.00 0.00 0.00 175.10 175.96 3k4k s GLU 252 N 0.81 3.21 0.30 2.72 2.12 0.94 -4.82 118.70 123.98 3k4k s GLU 252 Ca -0.09 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.08 3k4k s GLU 252 Cb -0.16 -4.37 -0.10 0.00 0.26 0.00 0.00 34.13 29.77 3k4k s GLU 252 CO 0.01 -1.89 1.15 -1.58 -0.54 0.00 0.00 175.26 172.40 3k4k s TRP 253 N 4.23 3.42 0.70 5.30 0.52 -1.26 -1.12 118.94 130.73 3k4k s TRP 253 Ca 0.27 1.63 -0.09 0.00 0.02 0.00 0.00 56.10 57.92 3k4k s TRP 253 Cb -0.13 -3.37 0.04 0.00 -1.15 0.00 0.00 33.47 28.86 3k4k s TRP 253 CO 0.07 -0.89 1.05 -1.12 0.02 0.00 0.00 176.95 176.09 3k4k s SER 254 N -0.83 5.12 0.14 2.95 0.01 0.21 -4.55 113.70 116.74 3k4k s SER 254 Ca 0.47 0.80 -0.11 0.00 1.31 0.00 0.00 55.95 58.42 3k4k s SER 254 Cb -0.33 -1.54 0.04 0.00 0.21 0.00 0.00 66.02 64.40 3k4k s SER 254 CO 0.43 -1.47 0.54 -1.54 0.41 0.00 0.00 173.24 171.61 3k4k n SER 255 N -2.96 -1.07 -0.28 2.44 3.41 -1.26 -4.73 113.62 109.17 3k4k n SER 255 Ca 0.07 -1.62 0.09 0.00 -0.26 0.00 0.00 58.87 57.15 3k4k n SER 255 Cb 0.59 1.75 0.22 0.00 -0.26 0.00 0.00 64.21 66.50 3k4k n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4k h ALA 256 N 2.00 0.99 -0.63 7.33 0.00 -1.79 -1.27 119.26 125.90 3k4k h ALA 256 Ca -0.16 0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3k4k h ALA 256 Cb 0.68 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3k4k h ALA 256 CO 0.21 -0.46 0.42 -0.97 0.00 0.00 0.00 179.25 178.46 3k4k h ASN 257 N 0.12 0.30 -0.62 0.00 -0.73 -1.60 -0.53 115.58 112.52 3k4k h ASN 257 Ca 0.49 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.57 3k4k h ASN 257 Cb 0.92 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.44 3k4k h ASN 257 CO -0.71 0.17 0.02 0.74 -0.37 0.00 0.00 177.43 177.28 3k4k h THR 258 N 0.32 1.27 -0.08 -3.57 2.02 -1.55 -3.10 112.91 108.21 3k4k h THR 258 Ca 0.30 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 3k4k h THR 258 Cb 0.73 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3k4k h THR 258 CO -0.07 0.41 -0.19 0.58 0.37 0.00 0.00 175.52 176.62 3k4k h VAL 259 N 0.99 1.41 -2.60 3.16 2.07 -1.13 -3.46 116.25 116.69 3k4k h VAL 259 Ca 0.18 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 3k4k h VAL 259 Cb 0.54 2.20 -0.26 0.00 -1.52 0.00 0.00 31.29 32.24 3k4k h VAL 259 CO 0.03 0.43 -0.27 0.12 0.02 0.00 0.00 177.57 177.89 3k4k s PHE 260 N -3.90 -0.63 -1.05 1.57 5.36 -0.32 -4.75 117.98 114.26 3k4k s PHE 260 Ca -0.15 1.34 0.22 0.00 -0.96 0.00 0.00 56.93 57.37 3k4k s PHE 260 Cb 0.04 0.29 0.94 0.00 -0.34 0.00 0.00 43.02 43.94 3k4k s PHE 260 CO 0.75 -0.35 1.69 -0.40 -1.46 0.00 0.00 175.22 175.45 3k4k n ASP 261 N 4.20 0.00 -0.32 6.13 5.68 -1.22 -3.89 116.55 127.13 3k4k n ASP 261 Ca -0.23 0.44 -0.04 0.00 -0.50 0.00 0.00 54.79 54.46 3k4k n ASP 261 Cb 0.56 -0.48 -0.02 0.00 -1.14 0.00 0.00 41.12 40.04 3k4k n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4k n LEU 262 N -1.48 0.15 -4.77 -2.12 4.77 -1.26 -4.15 117.00 108.14 3k4k n LEU 262 Ca 0.06 0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 3k4k n LEU 262 Cb 0.24 -1.87 -0.05 0.00 -2.33 0.00 0.00 43.42 39.41 3k4k n LEU 262 CO 0.20 -0.67 0.72 -1.10 -1.33 0.00 0.00 177.39 175.21 3k4k s GLN 263 N -1.86 4.50 0.38 3.23 -1.52 -1.26 -4.75 119.66 118.37 3k4k s GLN 263 Ca 0.00 1.57 -0.27 0.00 -1.95 0.00 0.00 55.36 54.71 3k4k s GLN 263 Cb 0.00 -2.91 -0.09 0.00 -0.22 0.00 0.00 33.01 29.79 3k4k s GLN 263 CO 0.00 0.15 1.29 -0.80 -0.25 0.00 0.00 175.29 175.68 3k4k s ASN 264 N -1.30 6.52 0.06 5.90 0.01 -1.26 -4.88 114.94 119.99 3k4k s ASN 264 Ca 0.50 2.63 0.06 0.00 -0.71 0.00 0.00 52.86 55.34 3k4k s ASN 264 Cb -0.25 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.74 3k4k s ASN 264 CO 0.32 -0.70 -0.17 -0.13 -1.51 0.00 0.00 177.10 174.90 3k4k s ARG 265 N -2.07 1.05 0.47 -0.60 0.52 -0.13 -4.24 118.95 113.96 3k4k s ARG 265 Ca 0.54 -0.94 -0.23 0.00 -0.52 0.00 0.00 55.73 54.58 3k4k s ARG 265 Cb -0.38 -1.15 -0.07 0.00 0.52 0.00 0.00 34.95 33.87 3k4k s ARG 265 CO 0.49 0.28 1.24 -1.25 0.02 0.00 0.00 175.30 176.08 3k4k s PRO 266 N -1.46 3.64 0.31 3.54 0.04 -0.58 -1.29 135.00 139.21 3k4k s PRO 266 Ca 0.03 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.06 3k4k s PRO 266 Cb -0.09 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 3k4k s PRO 266 CO 0.02 -0.71 0.31 0.54 0.04 0.00 0.00 177.00 177.21 3k4k s ASN 267 N -1.14 1.17 0.37 6.66 2.20 -1.07 -4.97 114.94 118.16 3k4k s ASN 267 Ca 0.64 -1.60 0.09 0.00 -0.94 0.00 0.00 52.86 51.05 3k4k s ASN 267 Cb -0.33 0.56 0.83 0.00 -2.00 0.00 0.00 41.25 40.30 3k4k s ASN 267 CO 0.41 -1.09 1.93 0.74 -2.94 0.00 0.00 177.10 176.15 3k4k h THR 268 N 2.21 0.93 0.00 0.54 2.02 -1.97 -0.90 112.91 115.75 3k4k h THR 268 Ca -0.28 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3k4k h THR 268 Cb 1.24 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3k4k h THR 268 CO 0.40 0.12 -0.69 0.44 0.37 0.00 0.00 175.52 176.16 3k4k h ASP 269 N 0.66 0.00 -1.89 4.18 3.32 -1.99 -3.37 116.42 117.33 3k4k h ASP 269 Ca 0.35 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.88 3k4k h ASP 269 Cb 0.48 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.65 3k4k h ASP 269 CO -0.13 0.16 -1.10 0.00 -1.72 0.00 0.00 179.24 176.45 3k4k n ALA 270 N -2.20 2.13 0.39 3.45 0.00 -0.75 -4.99 120.51 118.55 3k4k n ALA 270 Ca 0.00 -3.30 0.08 0.00 0.00 0.00 0.00 53.44 50.23 3k4k n ALA 270 Cb 0.61 -0.87 0.35 0.00 0.00 0.00 0.00 19.45 19.55 3k4k n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k4k n PRO 271 N 1.12 0.07 -0.13 0.00 -0.04 -0.42 -2.56 135.00 133.05 3k4k n PRO 271 Ca 0.21 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 64.09 3k4k n PRO 271 Cb 0.57 -1.65 0.13 0.00 -0.04 0.00 0.00 33.50 32.51 3k4k n PRO 271 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k4k n GLU 272 N -1.79 2.17 -4.02 0.54 -0.58 -1.26 -4.74 120.64 110.96 3k4k n GLU 272 Ca 0.02 -1.82 -0.22 0.00 -0.42 0.00 0.00 57.16 54.72 3k4k n GLU 272 Cb 0.16 -1.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 3k4k n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k4k s GLU 273 N -1.01 3.25 -0.21 3.49 2.02 -1.06 -4.96 118.70 120.23 3k4k s GLU 273 Ca 0.22 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 3k4k s GLU 273 Cb 0.12 -2.78 0.07 0.00 0.10 0.00 0.00 34.13 31.64 3k4k s GLU 273 CO 0.17 0.44 0.08 1.03 0.02 0.00 0.00 175.26 177.00 3k4k s ARG 274 N -3.78 0.28 -0.11 1.61 0.52 -1.26 -1.52 118.95 114.68 3k4k s ARG 274 Ca 0.33 -0.31 -0.06 0.00 -0.52 0.00 0.00 55.73 55.18 3k4k s ARG 274 Cb -0.09 -1.80 0.05 0.00 0.52 0.00 0.00 34.95 33.63 3k4k s ARG 274 CO 0.27 -0.74 0.26 0.12 0.02 0.00 0.00 175.30 175.23 3k4k s PHE 275 N 2.03 -0.35 -0.07 -0.53 5.36 -0.41 -2.09 117.98 121.92 3k4k s PHE 275 Ca 0.03 0.82 0.02 0.00 -0.96 0.00 0.00 56.93 56.85 3k4k s PHE 275 Cb -0.16 0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 3k4k s PHE 275 CO -0.15 -0.24 -0.12 -0.80 -1.46 0.00 0.00 175.22 172.45 3k4k s ASN 276 N 1.27 1.80 -0.17 6.13 -0.87 -0.35 -0.95 114.94 121.80 3k4k s ASN 276 Ca -0.09 -0.30 -0.07 0.00 -1.57 0.00 0.00 52.86 50.83 3k4k s ASN 276 Cb -0.10 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.25 40.25 3k4k s ASN 276 CO -0.09 0.04 0.05 -0.22 -2.57 0.00 0.00 177.10 174.31 3k4k s LEU 277 N 0.66 3.79 -0.43 0.60 2.96 -1.26 -0.67 118.68 124.33 3k4k s LEU 277 Ca -0.15 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3k4k s LEU 277 Cb -0.16 -1.94 0.12 0.00 0.50 0.00 0.00 46.19 44.70 3k4k s LEU 277 CO 0.04 0.21 0.16 -0.36 -1.32 0.00 0.00 176.35 175.08 3k4k s PHE 278 N 0.16 3.37 0.83 5.38 0.08 0.88 -4.97 117.98 123.70 3k4k s PHE 278 Ca 0.04 -3.04 -0.12 0.00 0.12 0.00 0.00 56.93 53.93 3k4k s PHE 278 Cb -0.12 -2.81 0.09 0.00 -0.57 0.00 0.00 43.02 39.61 3k4k s PHE 278 CO 0.01 -0.84 1.15 -2.14 -0.10 0.00 0.00 175.22 173.30 3k4k s PRO 279 N 0.31 1.84 -1.52 0.24 0.02 -1.26 -1.83 135.00 132.80 3k4k s PRO 279 Ca 0.14 0.26 -0.13 0.00 0.02 0.00 0.00 61.00 61.29 3k4k s PRO 279 Cb -0.23 -1.92 0.08 0.00 0.02 0.00 0.00 34.50 32.46 3k4k s PRO 279 CO -0.04 -1.71 0.92 0.00 -0.33 0.00 0.00 177.00 175.83 3k4k n ALA 280 N -3.43 -1.24 -4.00 -1.55 0.00 -0.36 -4.87 120.51 105.06 3k4k n ALA 280 Ca 0.07 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 3k4k n ALA 280 Cb 0.59 -4.31 -0.16 0.00 0.00 0.00 0.00 19.45 15.58 3k4k n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4k s VAL 281 N -3.26 1.72 -0.24 0.00 1.01 -0.45 -0.64 120.40 118.54 3k4k s VAL 281 Ca 0.63 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 3k4k s VAL 281 Cb -0.32 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3k4k s VAL 281 CO 0.78 0.08 1.12 0.00 0.00 0.00 0.00 175.10 177.08 3k4k s ALA 282 N 1.34 3.61 -0.13 5.51 0.00 0.03 -2.75 121.76 129.37 3k4k s ALA 282 Ca -0.03 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 3k4k s ALA 282 Cb -0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 3k4k s ALA 282 CO -0.07 -1.24 0.72 0.00 0.00 0.00 0.00 175.76 175.17 3k4k n GLU 284 N 4.50 2.07 -3.63 0.00 1.02 -0.04 -4.96 120.64 119.60 3k4k n GLU 284 Ca 0.00 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 3k4k n GLU 284 Cb 0.50 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 3k4k n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3k4k s ARG 285 N -2.18 0.81 -0.03 3.49 3.52 -1.23 -4.71 118.95 118.62 3k4k s ARG 285 Ca -0.06 1.03 -0.06 0.00 -0.13 0.00 0.00 55.73 56.50 3k4k s ARG 285 Cb 0.02 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 3k4k s ARG 285 CO 0.28 -0.11 0.22 0.14 -0.81 0.00 0.00 175.30 175.02 3k4k s VAL 286 N 0.57 5.37 -0.27 7.11 -7.23 -1.26 -0.44 120.40 124.25 3k4k s VAL 286 Ca -0.02 0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.20 3k4k s VAL 286 Cb -0.05 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 3k4k s VAL 286 CO -0.02 0.44 0.16 -0.69 -0.31 0.00 0.00 175.10 174.67 3k4k s VAL 287 N -1.22 5.06 0.26 1.32 1.01 0.03 -4.74 120.40 122.12 3k4k s VAL 287 Ca 0.24 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 3k4k s VAL 287 Cb -0.13 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 3k4k s VAL 287 CO 0.13 0.27 0.79 -0.13 0.00 0.00 0.00 175.10 176.17 3k4k s ARG 288 N 1.71 4.33 0.86 2.72 0.52 -1.26 0.35 118.95 128.18 3k4k s ARG 288 Ca 0.07 1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 56.13 3k4k s ARG 288 Cb -0.16 -2.81 0.21 0.00 0.52 0.00 0.00 34.95 32.71 3k4k s ARG 288 CO 0.09 0.34 0.82 0.27 0.02 0.00 0.00 175.30 176.84 3k4k n ASN 289 N 0.58 -1.49 0.15 0.23 6.94 -0.22 -4.85 115.26 116.60 3k4k n ASN 289 Ca -0.01 -1.04 0.02 0.00 -0.02 0.00 0.00 54.58 53.54 3k4k n ASN 289 Cb 0.51 -0.73 0.19 0.00 -2.36 0.00 0.00 39.78 37.39 3k4k n ASN 289 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k4k h ALA 290 N -2.43 0.85 0.00 -2.53 0.00 -1.99 -3.13 119.26 110.03 3k4k h ALA 290 Ca -0.30 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3k4k h ALA 290 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3k4k h ALA 290 CO 0.20 0.64 -0.46 -0.11 0.00 0.00 0.00 179.25 179.52 3k4k n LEU 291 N -3.49 0.46 -3.78 0.00 7.94 -1.26 -4.92 117.00 111.95 3k4k n LEU 291 Ca 0.00 0.08 -0.26 0.00 -1.11 0.00 0.00 56.01 54.72 3k4k n LEU 291 Cb 0.62 -0.27 0.04 0.00 0.53 0.00 0.00 43.42 44.34 3k4k n LEU 291 CO 0.40 0.09 0.05 0.59 -1.11 0.00 0.00 177.39 177.41 3k4k n ASN 292 N -1.56 -3.41 -0.00 1.96 3.02 -1.18 -4.92 115.26 109.17 3k4k n ASN 292 Ca 0.05 -0.77 0.05 0.00 -0.03 0.00 0.00 54.58 53.88 3k4k n ASN 292 Cb 0.35 -4.11 -0.06 0.00 -0.61 0.00 0.00 39.78 35.35 3k4k n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4k n SER 293 N -2.95 1.27 -3.75 6.41 3.41 -1.26 -4.08 113.62 112.68 3k4k n SER 293 Ca -0.11 -0.47 -0.13 0.00 -0.26 0.00 0.00 58.87 57.90 3k4k n SER 293 Cb 0.59 1.16 -0.09 0.00 -0.26 0.00 0.00 64.21 65.62 3k4k n SER 293 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k4k s GLU 294 N -2.19 0.66 -0.06 4.33 0.41 -1.26 -0.92 118.70 119.66 3k4k s GLU 294 Ca 0.01 -0.10 -0.16 0.00 -0.41 0.00 0.00 54.97 54.31 3k4k s GLU 294 Cb 0.07 0.29 -0.05 0.00 -1.78 0.00 0.00 34.13 32.66 3k4k s GLU 294 CO 0.40 -0.17 0.43 0.42 -0.49 0.00 0.00 175.26 175.84 3k4k s ILE 295 N -1.16 5.11 -0.02 -1.63 -1.09 -1.26 -1.06 121.20 120.09 3k4k s ILE 295 Ca -0.12 0.86 0.09 0.00 -2.23 0.00 0.00 60.65 59.25 3k4k s ILE 295 Cb -0.05 -3.75 -0.13 0.00 -1.58 0.00 0.00 42.46 36.95 3k4k s ILE 295 CO 0.04 0.46 0.18 -0.62 -1.23 0.00 0.00 174.94 173.77 3k4k n GLU 296 N 2.71 0.47 -3.64 2.79 -0.58 0.15 -4.95 120.64 117.59 3k4k n GLU 296 Ca -0.11 -0.07 -0.05 0.00 -0.42 0.00 0.00 57.16 56.50 3k4k n GLU 296 Cb 0.52 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 30.17 3k4k n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4k s SER 297 N -3.09 -0.25 -0.15 1.62 1.04 -1.24 -4.77 113.70 106.86 3k4k s SER 297 Ca -0.03 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.20 3k4k s SER 297 Cb 0.05 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.61 3k4k s SER 297 CO 0.36 -0.75 -0.21 -0.22 0.98 0.00 0.00 173.24 173.40 3k4k s LEU 298 N -2.75 2.13 -0.10 2.42 2.96 0.17 -0.79 118.68 122.73 3k4k s LEU 298 Ca 0.09 -0.61 -0.26 0.00 -0.22 0.00 0.00 54.13 53.13 3k4k s LEU 298 Cb -0.01 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 3k4k s LEU 298 CO -0.03 0.06 0.83 -1.00 -1.32 0.00 0.00 176.35 174.89 3k4k s HIS 299 N 0.95 3.52 0.18 5.38 3.76 0.41 -0.91 115.29 128.59 3k4k s HIS 299 Ca -0.03 1.36 0.10 0.00 -0.15 0.00 0.00 55.06 56.33 3k4k s HIS 299 Cb -0.15 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 3k4k s HIS 299 CO -0.05 -0.09 -0.22 0.96 -0.85 0.00 0.00 174.74 174.49 3k4k s ILE 300 N 1.49 2.11 -0.20 0.60 -4.36 -0.32 -0.86 121.20 119.66 3k4k s ILE 300 Ca 0.41 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.84 3k4k s ILE 300 Cb -0.18 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.60 3k4k s ILE 300 CO 0.17 -0.19 -0.03 -2.28 0.24 0.00 0.00 174.94 172.85 3k4k s HIS 301 N -1.78 1.87 -0.25 1.37 5.65 0.82 -1.71 115.29 121.26 3k4k s HIS 301 Ca 0.18 -1.33 -0.29 0.00 0.25 0.00 0.00 55.06 53.86 3k4k s HIS 301 Cb -0.07 -1.37 -0.01 0.00 -1.18 0.00 0.00 32.58 29.95 3k4k s HIS 301 CO 0.08 -0.69 1.35 0.34 -0.65 0.00 0.00 174.74 175.18 3k4k s ASP 302 N 1.57 6.69 0.11 9.88 -1.08 0.24 -0.79 116.67 133.29 3k4k s ASP 302 Ca -0.03 1.40 0.27 0.00 -0.52 0.00 0.00 52.55 53.67 3k4k s ASP 302 Cb -0.17 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.62 3k4k s ASP 302 CO -0.07 -1.03 1.75 0.18 0.52 0.00 0.00 175.17 176.51 3k4k n LEU 303 N 7.52 0.51 -0.08 -1.34 4.77 0.18 -0.16 117.00 128.41 3k4k n LEU 303 Ca 0.15 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.48 3k4k n LEU 303 Cb 0.46 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3k4k n LEU 303 CO 0.62 -0.08 -0.07 0.40 -1.33 0.00 0.00 177.39 176.92 3k4k h ILE 304 N 0.00 0.86 0.00 -0.08 1.08 -1.91 -3.38 117.51 114.08 3k4k h ILE 304 Ca 0.00 -1.79 -0.15 0.00 -0.39 0.00 0.00 64.86 62.54 3k4k h ILE 304 Cb 0.64 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 3k4k h ILE 304 CO 0.00 0.29 -0.88 0.77 -0.69 0.00 0.00 178.15 177.65 3k4k h SER 305 N -1.00 0.00 0.00 1.72 4.64 -1.93 -3.47 113.55 113.51 3k4k h SER 305 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3k4k h SER 305 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3k4k h SER 305 CO -0.06 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 3k4k n GLY 306 N 1.30 1.65 3.79 -0.77 0.00 0.78 -5.04 105.19 106.91 3k4k n GLY 306 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3k4k n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4k s ASP 307 N -2.86 6.43 -0.06 1.61 1.01 -1.20 -4.70 116.67 116.89 3k4k s ASP 307 Ca 0.00 1.95 0.02 0.00 0.71 0.00 0.00 52.55 55.22 3k4k s ASP 307 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 3k4k s ASP 307 CO 0.00 -0.72 -0.10 -0.13 0.21 0.00 0.00 175.17 174.43 3k4k s ARG 308 N -3.10 2.69 0.25 8.23 0.52 -1.26 -0.60 118.95 125.68 3k4k s ARG 308 Ca 0.65 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 55.29 3k4k s ARG 308 Cb -0.17 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 3k4k s ARG 308 CO 0.21 0.62 0.00 -0.06 0.02 0.00 0.00 175.30 176.10 3k4k s PHE 309 N -0.71 1.63 -0.05 -0.53 0.08 -0.69 -5.01 117.98 112.69 3k4k s PHE 309 Ca 0.11 -0.92 0.06 0.00 0.12 0.00 0.00 56.93 56.30 3k4k s PHE 309 Cb -0.11 -0.96 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 3k4k s PHE 309 CO 0.01 -0.02 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.66 3k4k s GLU 310 N -3.86 2.51 -0.11 0.44 2.02 -1.26 -1.17 118.70 117.27 3k4k s GLU 310 Ca 0.30 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.42 3k4k s GLU 310 Cb 0.06 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 3k4k s GLU 310 CO 0.10 0.42 -0.19 0.42 0.02 0.00 0.00 175.26 176.03 3k4k s ILE 311 N -0.25 2.56 -0.14 -1.63 -1.09 -0.09 -4.87 121.20 115.70 3k4k s ILE 311 Ca -0.01 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 57.49 3k4k s ILE 311 Cb -0.13 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 3k4k s ILE 311 CO 0.03 0.54 0.13 -0.75 -1.23 0.00 0.00 174.94 173.67 3k4k s LYS 312 N 0.31 3.62 0.15 2.79 2.47 0.43 -0.66 119.74 128.87 3k4k s LYS 312 Ca -0.14 -0.16 -0.04 0.00 -1.56 0.00 0.00 55.97 54.07 3k4k s LYS 312 Cb -0.17 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 32.93 3k4k s LYS 312 CO 0.07 0.65 0.14 0.00 0.16 0.00 0.00 175.35 176.38 3k4k s ALA 313 N -0.67 0.62 0.01 3.13 0.00 -1.26 -1.40 121.76 122.19 3k4k s ALA 313 Ca 0.13 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 3k4k s ALA 313 Cb -0.12 0.93 -0.32 0.00 0.00 0.00 0.00 23.12 23.61 3k4k s ALA 313 CO 0.02 -0.55 0.88 -0.44 0.00 0.00 0.00 175.76 175.67 3k4k h ASP 314 N 2.73 0.65 -4.30 0.00 3.32 -0.82 -3.46 116.42 114.54 3k4k h ASP 314 Ca -0.34 -0.80 -0.54 0.00 0.02 0.00 0.00 57.03 55.37 3k4k h ASP 314 Cb 1.21 -0.21 -0.29 0.00 0.22 0.00 0.00 39.33 40.26 3k4k h ASP 314 CO 0.55 1.65 -0.83 -0.69 -1.72 0.00 0.00 179.24 178.20 3k4k s VAL 315 N -2.60 1.35 -0.15 -1.35 1.01 -0.33 -4.81 120.40 113.52 3k4k s VAL 315 Ca -0.11 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3k4k s VAL 315 Cb 0.05 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3k4k s VAL 315 CO 0.89 0.38 -0.17 -0.31 0.00 0.00 0.00 175.10 175.90 3k4k s TYR 316 N -0.39 2.37 -0.13 5.22 1.51 -0.43 -1.75 117.35 123.75 3k4k s TYR 316 Ca 0.06 -1.30 0.01 0.00 -1.01 0.00 0.00 57.07 54.84 3k4k s TYR 316 Cb -0.07 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3k4k s TYR 316 CO -0.01 -0.66 -0.16 0.08 -1.11 0.00 0.00 175.55 173.69 3k4k s VAL 317 N 1.24 2.68 -0.28 0.71 1.01 -0.03 -0.99 120.40 124.73 3k4k s VAL 317 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3k4k s VAL 317 Cb -0.14 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3k4k s VAL 317 CO -0.08 0.53 0.04 -0.76 0.00 0.00 0.00 175.10 174.83 3k4k s LEU 318 N 0.54 3.68 -0.36 3.92 1.43 -0.36 -0.64 118.68 126.88 3k4k s LEU 318 Ca -0.10 -0.78 0.14 0.00 -1.03 0.00 0.00 54.13 52.36 3k4k s LEU 318 Cb -0.16 -1.82 0.45 0.00 0.03 0.00 0.00 46.19 44.69 3k4k s LEU 318 CO 0.04 -0.18 1.01 0.35 0.23 0.00 0.00 176.35 177.80 3k4k n THR 319 N 4.80 1.47 0.65 5.49 -2.24 0.64 -1.01 114.28 124.09 3k4k n THR 319 Ca -0.15 -3.69 0.06 0.00 -2.27 0.00 0.00 64.05 57.99 3k4k n THR 319 Cb 0.47 0.01 0.18 0.00 -2.10 0.00 0.00 70.33 68.89 3k4k n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4k n ALA 320 N -0.22 2.57 0.00 6.98 0.00 -1.06 -4.23 120.51 124.55 3k4k n ALA 320 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3k4k n ALA 320 Cb 0.77 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3k4k n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4k n GLY 321 N 0.98 0.98 0.31 0.00 0.00 -1.26 -4.03 105.19 102.16 3k4k n GLY 321 Ca 0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 3k4k n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4k h ALA 322 N 0.00 1.21 0.05 4.61 0.00 -1.90 0.21 119.26 123.43 3k4k h ALA 322 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k4k h ALA 322 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3k4k h ALA 322 CO 0.00 0.55 -0.02 0.28 0.00 0.00 0.00 179.25 180.06 3k4k h VAL 323 N 0.84 1.23 0.00 0.00 2.07 -1.94 -3.33 116.25 115.12 3k4k h VAL 323 Ca 0.19 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 3k4k h VAL 323 Cb 0.27 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3k4k h VAL 323 CO -0.01 0.37 -0.38 0.45 0.02 0.00 0.00 177.57 178.03 3k4k h HIS 324 N -0.89 0.00 -0.49 1.57 -0.00 -1.66 -1.11 115.15 112.57 3k4k h HIS 324 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3k4k h HIS 324 Cb 0.66 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.03 3k4k h HIS 324 CO 0.16 0.38 0.28 -0.91 -0.00 0.00 0.00 177.93 177.83 3k4k h ASN 325 N 0.00 0.43 -0.55 2.45 2.35 -0.75 -1.53 115.58 117.98 3k4k h ASN 325 Ca -0.00 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3k4k h ASN 325 Cb 0.89 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3k4k h ASN 325 CO 0.05 0.30 0.06 0.74 -1.65 0.00 0.00 177.43 176.93 3k4k h THR 326 N 0.55 1.26 -0.37 2.81 2.02 -1.55 -1.45 112.91 116.17 3k4k h THR 326 Ca 0.20 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3k4k h THR 326 Cb 0.06 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3k4k h THR 326 CO -0.11 0.36 0.21 -0.61 0.37 0.00 0.00 175.52 175.74 3k4k h GLN 327 N 0.81 0.51 -0.59 6.66 4.15 -1.01 -0.30 115.11 125.34 3k4k h GLN 327 Ca 0.16 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3k4k h GLN 327 Cb 0.45 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3k4k h GLN 327 CO 0.02 0.41 0.33 1.25 -1.93 0.00 0.00 178.83 178.91 3k4k h LEU 328 N 0.47 0.74 -0.03 -2.39 5.85 -0.99 0.50 115.31 119.46 3k4k h LEU 328 Ca 0.13 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3k4k h LEU 328 Cb 0.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 3k4k h LEU 328 CO -0.02 0.62 0.01 -0.07 -0.34 0.00 0.00 178.44 178.63 3k4k h LEU 329 N 0.80 0.04 -1.31 2.25 3.38 -1.04 -1.97 115.31 117.47 3k4k h LEU 329 Ca 0.21 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3k4k h LEU 329 Cb 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3k4k h LEU 329 CO -0.03 0.28 0.48 0.58 0.09 0.00 0.00 178.44 179.83 3k4k h VAL 330 N -0.19 1.12 0.00 1.22 2.07 -0.90 1.00 116.25 120.57 3k4k h VAL 330 Ca 0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3k4k h VAL 330 Cb 0.25 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3k4k h VAL 330 CO 0.00 0.16 0.00 -3.20 0.02 0.00 0.00 177.57 174.56 3k4k n ASN 331 N -4.45 0.00 -0.94 0.57 5.15 0.15 -2.31 115.26 113.43 3k4k n ASN 331 Ca 0.09 0.37 0.08 0.00 -0.60 0.00 0.00 54.58 54.53 3k4k n ASN 331 Cb 0.11 -0.44 0.22 0.00 -0.53 0.00 0.00 39.78 39.13 3k4k n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4k n SER 332 N -1.44 3.30 0.00 1.20 7.64 0.29 -4.86 113.62 119.75 3k4k n SER 332 Ca 0.05 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.96 3k4k n SER 332 Cb 0.17 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3k4k n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4k n GLY 333 N 1.04 0.69 3.81 0.23 0.00 -0.98 -4.75 105.19 105.23 3k4k n GLY 333 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3k4k n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4k s PHE 334 N -2.39 3.11 0.00 1.61 0.40 -0.85 -4.84 117.98 115.02 3k4k s PHE 334 Ca 0.00 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 3k4k s PHE 334 Cb 0.00 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.56 3k4k s PHE 334 CO 0.00 -0.73 0.00 0.41 0.70 0.00 0.00 175.22 175.60 3k4k n GLY 335 N -0.73 2.05 2.69 4.36 0.00 0.17 -4.18 105.19 109.55 3k4k n GLY 335 Ca 0.08 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 3k4k n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4k s GLN 336 N 0.00 0.00 0.33 1.61 0.74 -1.26 -4.75 119.66 116.33 3k4k s GLN 336 Ca 0.00 0.33 -0.27 0.00 0.05 0.00 0.00 55.36 55.47 3k4k s GLN 336 Cb 0.00 -0.54 -0.09 0.00 1.10 0.00 0.00 33.01 33.48 3k4k s GLN 336 CO 0.00 -0.31 1.03 -1.17 -0.55 0.00 0.00 175.29 174.29 3k4k s LEU 337 N 2.04 4.36 0.00 3.68 2.96 -1.26 -4.72 118.68 125.74 3k4k s LEU 337 Ca 0.04 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 3k4k s LEU 337 Cb -0.12 -3.92 0.00 0.00 0.50 0.00 0.00 46.19 42.65 3k4k s LEU 337 CO -0.03 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3k4k n GLY 338 N 0.76 -0.16 3.70 7.98 0.00 0.61 -4.86 105.19 113.21 3k4k n GLY 338 Ca 0.02 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 3k4k n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4k n ARG 339 N -0.25 2.68 -1.62 1.61 0.63 -1.26 -4.49 116.66 113.94 3k4k n ARG 339 Ca 0.00 0.97 -0.42 0.00 -0.92 0.00 0.00 57.85 57.48 3k4k n ARG 339 Cb 0.00 -2.83 0.01 0.00 0.45 0.00 0.00 32.46 30.09 3k4k n ARG 339 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3k4k n PRO 340 N 4.65 1.46 -3.55 -0.14 -0.02 -1.26 -4.99 135.00 131.14 3k4k n PRO 340 Ca 0.17 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 3k4k n PRO 340 Cb 0.35 -2.08 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 3k4k n PRO 340 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k4k s ASN 341 N -0.68 1.96 0.47 2.55 4.22 -1.26 -5.02 114.94 117.17 3k4k s ASN 341 Ca 0.62 -0.47 0.12 0.00 -2.14 0.00 0.00 52.86 51.00 3k4k s ASN 341 Cb -0.56 0.03 1.07 0.00 1.28 0.00 0.00 41.25 43.08 3k4k s ASN 341 CO 0.57 -0.34 2.09 1.55 -2.04 0.00 0.00 177.10 178.93 3k4k h PRO 342 N 8.37 0.20 0.00 3.55 0.13 -2.01 0.02 132.00 142.26 3k4k h PRO 342 Ca -0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3k4k h PRO 342 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3k4k h PRO 342 CO 0.29 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.23 3k4k n ALA 343 N -2.51 1.94 -2.78 -0.56 0.00 -1.26 -3.51 120.51 111.83 3k4k n ALA 343 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 3k4k n ALA 343 Cb 0.11 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.53 3k4k n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4k n ASN 344 N -0.60 -3.21 -4.77 0.00 4.05 -0.01 -5.15 115.26 105.58 3k4k n ASN 344 Ca 0.02 -3.00 -0.40 0.00 0.45 0.00 0.00 54.58 51.66 3k4k n ASN 344 Cb 0.01 1.69 -0.03 0.00 1.23 0.00 0.00 39.78 42.68 3k4k n ASN 344 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3k4k s PRO 345 N 0.78 4.30 0.29 1.20 0.02 -1.23 -4.68 135.00 135.68 3k4k s PRO 345 Ca 0.31 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 3k4k s PRO 345 Cb 0.06 -2.93 -0.13 0.00 0.02 0.00 0.00 34.50 31.52 3k4k s PRO 345 CO -0.10 -0.14 1.37 -2.30 -0.33 0.00 0.00 177.00 175.49 3k4k n PRO 346 N 0.59 2.14 -0.05 5.54 -0.01 -1.26 -4.92 135.00 137.02 3k4k n PRO 346 Ca 0.02 0.76 -0.14 0.00 -0.01 0.00 0.00 63.50 64.12 3k4k n PRO 346 Cb 0.44 -2.39 -0.07 0.00 -0.01 0.00 0.00 33.50 31.47 3k4k n PRO 346 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3k4k h GLU 347 N 3.52 0.47 -5.06 -0.52 4.39 -1.93 -3.37 114.58 112.08 3k4k h GLU 347 Ca -0.46 -0.29 -0.63 0.00 0.34 0.00 0.00 59.36 58.31 3k4k h GLU 347 Cb 1.27 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.80 3k4k h GLU 347 CO 0.70 0.90 -0.32 -1.17 -1.16 0.00 0.00 179.01 177.96 3k4k s LEU 348 N -8.89 4.07 -1.02 1.33 2.96 -1.26 -4.41 118.68 111.46 3k4k s LEU 348 Ca -0.13 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 3k4k s LEU 348 Cb 0.06 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3k4k s LEU 348 CO 0.79 -0.16 0.80 0.18 -1.32 0.00 0.00 176.35 176.64 3k4k n LEU 349 N 5.26 -4.13 0.22 -0.68 4.77 -1.26 0.42 117.00 121.60 3k4k n LEU 349 Ca -0.10 -0.78 0.17 0.00 -0.03 0.00 0.00 56.01 55.27 3k4k n LEU 349 Cb 0.51 -2.69 0.85 0.00 -2.33 0.00 0.00 43.42 39.76 3k4k n LEU 349 CO 0.36 0.11 1.15 1.55 -1.33 0.00 0.00 177.39 179.23 3k4k h PRO 350 N -1.17 0.00 -0.01 3.23 0.13 -1.77 -2.03 132.00 130.39 3k4k h PRO 350 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3k4k h PRO 350 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3k4k h PRO 350 CO 0.43 0.00 -0.07 0.43 -0.23 0.00 0.00 178.00 178.56 3k4k n SER 351 N -3.74 0.75 -4.70 1.44 7.64 -1.26 -4.84 113.62 108.91 3k4k n SER 351 Ca 0.01 -0.97 -0.42 0.00 1.01 0.00 0.00 58.87 58.50 3k4k n SER 351 Cb 0.31 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 3k4k n SER 351 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4k s LEU 352 N -2.24 4.37 0.00 -3.43 2.96 -0.76 -1.76 118.68 117.82 3k4k s LEU 352 Ca 0.35 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.86 3k4k s LEU 352 Cb 0.21 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3k4k s LEU 352 CO 0.42 -0.89 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 3k4k n GLY 353 N 3.95 0.70 3.61 7.98 0.00 -0.14 -4.87 105.19 116.41 3k4k n GLY 353 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3k4k n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4k s SER 354 N -2.40 4.34 -1.05 1.61 0.01 -0.72 -0.38 113.70 115.11 3k4k s SER 354 Ca 0.00 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.52 3k4k s SER 354 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.51 3k4k s SER 354 CO 0.00 -0.01 0.00 -1.22 0.41 0.00 0.00 173.24 172.42 3k4k n TYR 355 N -0.85 -0.43 -2.13 2.43 4.02 -0.45 -4.64 117.16 115.12 3k4k n TYR 355 Ca -0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.46 3k4k n TYR 355 Cb 0.59 -2.55 0.01 0.00 -0.02 0.00 0.00 39.34 37.37 3k4k n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4k s ILE 356 N -2.55 2.84 -0.01 -0.72 -4.36 -0.92 -4.42 121.20 111.06 3k4k s ILE 356 Ca 0.00 0.60 0.05 0.00 -0.26 0.00 0.00 60.65 61.05 3k4k s ILE 356 Cb 0.00 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.41 3k4k s ILE 356 CO 0.00 -0.04 -0.18 0.42 0.24 0.00 0.00 174.94 175.39 3k4k s THR 357 N -1.53 1.39 0.02 8.37 -4.23 0.18 -4.58 115.64 115.26 3k4k s THR 357 Ca 0.68 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 3k4k s THR 357 Cb -0.31 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 3k4k s THR 357 CO 0.36 0.37 -0.04 -0.70 -0.54 0.00 0.00 174.62 174.07 3k4k s GLU 358 N -0.48 0.32 0.23 3.99 2.56 -1.26 -0.81 118.70 123.25 3k4k s GLU 358 Ca 0.07 -0.50 -0.27 0.00 0.00 0.00 0.00 54.97 54.27 3k4k s GLU 358 Cb -0.07 -0.05 -0.09 0.00 2.00 0.00 0.00 34.13 35.92 3k4k s GLU 358 CO -0.00 -0.00 0.87 -0.65 -0.56 0.00 0.00 175.26 174.92 3k4k s GLN 359 N -1.10 4.67 0.31 4.30 -0.21 -1.26 -4.56 119.66 121.81 3k4k s GLN 359 Ca -0.10 1.31 -0.29 0.00 0.02 0.00 0.00 55.36 56.30 3k4k s GLN 359 Cb -0.07 -3.14 -0.10 0.00 1.00 0.00 0.00 33.01 30.69 3k4k s GLN 359 CO -0.00 0.48 1.31 -1.12 -2.12 0.00 0.00 175.29 173.83 3k4k s SER 360 N -1.30 6.79 -0.08 5.90 0.01 -1.25 -4.68 113.70 119.09 3k4k s SER 360 Ca 0.41 2.65 0.02 0.00 1.31 0.00 0.00 55.95 60.35 3k4k s SER 360 Cb -0.23 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.37 3k4k s SER 360 CO 0.28 -0.53 -0.13 -0.22 0.41 0.00 0.00 173.24 173.05 3k4k s LEU 361 N -1.54 1.61 0.05 2.44 2.96 -1.26 -0.56 118.68 122.37 3k4k s LEU 361 Ca 0.50 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3k4k s LEU 361 Cb -0.39 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 3k4k s LEU 361 CO 0.51 0.01 -0.05 0.68 -1.32 0.00 0.00 176.35 176.17 3k4k s VAL 362 N 0.89 3.71 -0.01 1.68 -7.23 -0.56 -0.51 120.40 118.37 3k4k s VAL 362 Ca -0.10 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 3k4k s VAL 362 Cb -0.15 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 3k4k s VAL 362 CO 0.01 0.26 0.06 0.12 -0.31 0.00 0.00 175.10 175.24 3k4k s PHE 363 N -1.13 0.02 0.28 2.82 5.36 -0.47 -1.88 117.98 122.98 3k4k s PHE 363 Ca 0.20 -0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 56.00 3k4k s PHE 363 Cb -0.11 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.54 3k4k s PHE 363 CO 0.12 -0.12 0.56 0.00 -1.46 0.00 0.00 175.22 174.32 3k4k s GLN 365 N -3.76 1.58 0.27 0.00 -0.21 -0.67 -0.66 119.66 116.22 3k4k s GLN 365 Ca 0.20 -1.56 0.09 0.00 0.02 0.00 0.00 55.36 54.11 3k4k s GLN 365 Cb -0.02 -1.85 -0.05 0.00 1.00 0.00 0.00 33.01 32.08 3k4k s GLN 365 CO 0.10 0.39 -0.13 0.95 -2.12 0.00 0.00 175.29 174.48 3k4k s THR 366 N -1.83 2.02 -0.22 -0.19 -4.23 -0.04 -0.18 115.64 110.96 3k4k s THR 366 Ca 0.23 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3k4k s THR 366 Cb -0.07 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.44 3k4k s THR 366 CO 0.11 -0.39 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.05 3k4k s VAL 367 N -2.78 3.20 0.23 2.29 1.01 -0.32 -1.75 120.40 122.28 3k4k s VAL 367 Ca 0.28 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3k4k s VAL 367 Cb -0.00 -2.47 -0.14 0.00 0.00 0.00 0.00 36.38 33.76 3k4k s VAL 367 CO 0.12 0.40 1.18 0.80 0.00 0.00 0.00 175.10 177.60 3k4k n MET 368 N 4.77 1.46 -1.62 2.72 1.56 0.42 -3.46 117.12 122.97 3k4k n MET 368 Ca -0.18 0.52 -0.34 0.00 -0.27 0.00 0.00 57.70 57.43 3k4k n MET 368 Cb 0.50 -2.02 0.07 0.00 2.15 0.00 0.00 33.22 33.93 3k4k n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4k s SER 369 N -0.12 4.64 0.30 6.12 1.04 0.40 -4.87 113.70 121.21 3k4k s SER 369 Ca 0.67 2.24 -0.02 0.00 0.48 0.00 0.00 55.95 59.32 3k4k s SER 369 Cb -0.75 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 63.25 3k4k s SER 369 CO 0.54 -1.96 1.97 0.74 0.98 0.00 0.00 173.24 175.52 3k4k h THR 370 N -0.02 1.21 -0.61 2.02 2.02 -1.91 -1.02 112.91 114.60 3k4k h THR 370 Ca -0.48 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 3k4k h THR 370 Cb 1.28 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3k4k h THR 370 CO 0.52 0.20 0.02 -0.08 0.37 0.00 0.00 175.52 176.55 3k4k h GLU 371 N 1.11 1.06 -0.51 6.66 4.81 -1.96 0.24 114.58 125.99 3k4k h GLU 371 Ca 0.30 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3k4k h GLU 371 Cb -0.12 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3k4k h GLU 371 CO -0.07 1.03 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.07 3k4k h LEU 372 N 0.96 0.94 -0.35 1.64 3.38 -1.73 -0.59 115.31 119.56 3k4k h LEU 372 Ca 0.17 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3k4k h LEU 372 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3k4k h LEU 372 CO 0.03 1.05 -0.12 0.40 0.09 0.00 0.00 178.44 179.89 3k4k h ILE 373 N 0.84 1.28 -0.35 1.22 1.08 -0.77 -1.94 117.51 118.87 3k4k h ILE 373 Ca 0.14 -1.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 3k4k h ILE 373 Cb 0.64 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3k4k h ILE 373 CO 0.04 0.40 0.18 0.44 -0.69 0.00 0.00 178.15 178.52 3k4k h ASP 374 N 0.48 0.43 0.24 1.72 3.32 -0.81 -2.29 116.42 119.50 3k4k h ASP 374 Ca 0.08 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3k4k h ASP 374 Cb 0.64 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3k4k h ASP 374 CO 0.04 0.37 -0.25 0.77 -1.72 0.00 0.00 179.24 178.45 3k4k h SER 375 N 0.49 0.03 -0.96 6.45 4.64 -0.35 -2.46 113.55 121.40 3k4k h SER 375 Ca 0.13 -0.01 0.18 0.00 -0.47 0.00 0.00 61.79 61.62 3k4k h SER 375 Cb 0.04 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 62.02 3k4k h SER 375 CO -0.02 0.28 0.55 0.58 -0.87 0.00 0.00 176.83 177.36 3k4k h VAL 376 N 0.03 0.70 -0.38 0.95 2.07 -0.93 -2.36 116.25 116.33 3k4k h VAL 376 Ca 0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3k4k h VAL 376 Cb 0.46 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3k4k h VAL 376 CO 0.03 0.13 0.02 2.29 0.02 0.00 0.00 177.57 180.06 3k4k n LYS 377 N -4.81 3.33 0.07 1.57 2.85 -0.94 -4.69 118.16 115.55 3k4k n LYS 377 Ca 0.21 -2.96 0.10 0.00 -1.05 0.00 0.00 58.31 54.61 3k4k n LYS 377 Cb 0.53 -1.97 0.56 0.00 -0.65 0.00 0.00 35.03 33.50 3k4k n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4k h SER 378 N 2.27 0.21 0.37 -5.58 4.64 -1.22 -1.60 113.55 112.65 3k4k h SER 378 Ca 0.04 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3k4k h SER 378 Cb 1.66 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 3k4k h SER 378 CO 0.34 0.14 -0.12 0.47 -0.87 0.00 0.00 176.83 176.79 3k4k n ASP 379 N -4.48 0.50 -4.82 4.97 8.00 -1.26 -4.88 116.55 114.58 3k4k n ASP 379 Ca 0.03 -0.56 -0.38 0.00 0.71 0.00 0.00 54.79 54.60 3k4k n ASP 379 Cb 0.22 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 3k4k n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4k s MET 380 N -2.50 4.18 -0.19 -1.24 -1.94 -0.60 -4.58 119.30 112.43 3k4k s MET 380 Ca 0.28 0.73 -0.17 0.00 -1.71 0.00 0.00 55.69 54.82 3k4k s MET 380 Cb 0.20 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 3k4k s MET 380 CO 0.48 0.56 0.44 0.99 -0.01 0.00 0.00 175.02 177.48 3k4k s THR 381 N -1.25 5.18 -0.13 2.05 2.01 0.53 -4.93 115.64 119.10 3k4k s THR 381 Ca 0.34 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.15 3k4k s THR 381 Cb -0.18 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.58 3k4k s THR 381 CO 0.20 0.25 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.59 3k4k s ILE 382 N 1.26 1.59 -0.01 1.82 1.01 -1.26 -1.05 121.20 124.57 3k4k s ILE 382 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.22 3k4k s ILE 382 Cb -0.15 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3k4k s ILE 382 CO 0.09 0.46 -0.11 -0.13 0.00 0.00 0.00 174.94 175.24 3k4k s ARG 383 N 1.19 0.96 0.44 2.79 0.52 -0.41 -4.99 118.95 119.44 3k4k s ARG 383 Ca -0.02 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3k4k s ARG 383 Cb -0.14 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.41 3k4k s ARG 383 CO -0.06 0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.91 3k4k n GLY 384 N 2.84 -2.33 3.36 -3.53 0.00 -1.26 -1.08 105.19 103.19 3k4k n GLY 384 Ca -0.14 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 3k4k n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4k s THR 385 N -0.41 2.41 0.35 2.61 -4.23 -1.26 -4.88 115.64 110.23 3k4k s THR 385 Ca 0.00 -0.97 -0.26 0.00 -1.18 0.00 0.00 61.69 59.28 3k4k s THR 385 Cb 0.00 -1.88 -0.12 0.00 1.34 0.00 0.00 72.50 71.83 3k4k s THR 385 CO 0.00 0.58 1.03 -2.65 -0.54 0.00 0.00 174.62 173.04 3k4k n PRO 386 N 2.47 1.43 0.00 3.99 -0.02 -1.26 -1.63 135.00 139.98 3k4k n PRO 386 Ca -0.17 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3k4k n PRO 386 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3k4k n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4k n GLY 387 N 1.16 1.84 3.95 -1.23 0.00 -1.26 -5.02 105.19 104.63 3k4k n GLY 387 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3k4k n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4k s GLU 388 N -0.63 3.46 0.39 1.61 2.02 -0.64 -5.00 118.70 119.91 3k4k s GLU 388 Ca 0.00 -0.57 0.16 0.00 0.02 0.00 0.00 54.97 54.58 3k4k s GLU 388 Cb 0.00 -2.85 1.04 0.00 0.10 0.00 0.00 34.13 32.42 3k4k s GLU 388 CO 0.00 0.38 1.79 -0.07 0.02 0.00 0.00 175.26 177.39 3k4k h LEU 389 N 1.41 0.50 -0.45 1.80 3.38 -1.96 -1.86 115.31 118.12 3k4k h LEU 389 Ca -0.50 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3k4k h LEU 389 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3k4k h LEU 389 CO 0.64 0.14 -0.35 0.35 0.09 0.00 0.00 178.44 179.30 3k4k n THR 390 N -4.62 0.00 -2.13 0.22 -2.24 -1.26 -4.96 114.28 99.29 3k4k n THR 390 Ca 0.24 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 3k4k n THR 390 Cb 0.78 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 3k4k n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4k s TYR 391 N -2.60 3.12 -0.08 4.78 5.04 -0.70 -4.58 117.35 122.33 3k4k s TYR 391 Ca 0.21 1.27 -0.11 0.00 -2.44 0.00 0.00 57.07 56.00 3k4k s TYR 391 Cb 0.19 -3.68 0.03 0.00 0.35 0.00 0.00 41.96 38.84 3k4k s TYR 391 CO 0.57 -2.02 0.29 0.45 -1.34 0.00 0.00 175.55 173.49 3k4k s SER 392 N -0.06 -0.26 -0.09 4.32 0.15 -0.24 -5.00 113.70 112.52 3k4k s SER 392 Ca 0.54 0.43 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 3k4k s SER 392 Cb -0.39 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 3k4k s SER 392 CO 0.46 -0.19 -0.04 -0.69 1.20 0.00 0.00 173.24 173.97 3k4k s VAL 393 N -0.27 0.74 0.09 4.45 1.01 -1.26 -1.29 120.40 123.87 3k4k s VAL 393 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3k4k s VAL 393 Cb -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3k4k s VAL 393 CO 0.01 0.32 -0.01 0.42 0.00 0.00 0.00 175.10 175.84 3k4k s THR 394 N 1.82 0.30 0.16 3.92 -4.23 -0.21 -4.97 115.64 112.43 3k4k s THR 394 Ca 0.05 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 3k4k s THR 394 Cb -0.12 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3k4k s THR 394 CO -0.07 -0.80 0.20 -0.72 -0.54 0.00 0.00 174.62 172.70 3k4k s TYR 395 N -3.89 0.62 -0.41 3.99 1.13 -1.26 -0.34 117.35 117.19 3k4k s TYR 395 Ca 0.14 -0.98 -0.14 0.00 -1.41 0.00 0.00 57.07 54.68 3k4k s TYR 395 Cb 0.07 -0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.73 3k4k s TYR 395 CO -0.05 -0.66 0.28 0.99 -2.51 0.00 0.00 175.55 173.60 3k4k s THR 396 N -4.02 5.05 0.19 -3.49 2.01 -1.26 -5.05 115.64 109.07 3k4k s THR 396 Ca 0.22 -0.77 -0.32 0.00 0.31 0.00 0.00 61.69 61.12 3k4k s THR 396 Cb 0.05 -3.84 -0.15 0.00 0.01 0.00 0.00 72.50 68.56 3k4k s THR 396 CO 0.02 -0.32 1.21 -2.65 -0.69 0.00 0.00 174.62 172.19 3k4k n PRO 397 N 5.12 1.36 -0.90 4.92 -0.02 -1.26 -2.65 135.00 141.56 3k4k n PRO 397 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3k4k n PRO 397 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3k4k n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4k n GLY 398 N 2.02 0.37 3.78 -1.23 0.00 -1.26 -4.98 105.19 103.89 3k4k n GLY 398 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3k4k n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4k s ALA 399 N -1.97 2.85 -0.41 4.61 0.00 -1.08 -4.98 121.76 120.78 3k4k s ALA 399 Ca 0.00 0.80 0.23 0.00 0.00 0.00 0.00 51.96 52.99 3k4k s ALA 399 Cb 0.00 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.86 3k4k s ALA 399 CO 0.00 -0.59 1.08 -1.13 0.00 0.00 0.00 175.76 175.12 3k4k n SER 400 N -0.89 0.71 0.05 0.00 3.41 -1.26 -3.53 113.62 112.11 3k4k n SER 400 Ca 0.09 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 3k4k n SER 400 Cb 0.50 0.54 0.43 0.00 -0.26 0.00 0.00 64.21 65.43 3k4k n SER 400 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3k4k n THR 401 N -2.35 0.71 -2.40 6.66 -1.04 -1.26 -4.81 114.28 109.78 3k4k n THR 401 Ca 0.01 0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.73 3k4k n THR 401 Cb 0.50 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 68.08 3k4k n THR 401 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3k4k s ASN 402 N -3.52 7.10 0.31 8.00 0.01 -1.23 -4.95 114.94 120.66 3k4k s ASN 402 Ca 0.08 2.17 0.14 0.00 -0.71 0.00 0.00 52.86 54.54 3k4k s ASN 402 Cb 0.12 -2.60 0.48 0.00 0.41 0.00 0.00 41.25 39.66 3k4k s ASN 402 CO 0.39 -0.38 1.66 0.11 -1.51 0.00 0.00 177.10 177.37 3k4k h LYS 403 N 5.60 0.00 -6.56 -0.60 1.79 -1.90 -3.46 116.57 111.43 3k4k h LYS 403 Ca -0.44 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.38 3k4k h LYS 403 Cb 1.21 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.68 3k4k h LYS 403 CO 0.76 0.52 -0.81 -1.01 -1.08 0.00 0.00 179.45 177.83 3k4k s HIS 404 N -3.60 2.33 1.00 -1.35 3.76 -1.26 -5.14 115.29 111.02 3k4k s HIS 404 Ca -0.01 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.41 3k4k s HIS 404 Cb 0.12 -1.14 0.19 0.00 1.11 0.00 0.00 32.58 32.86 3k4k s HIS 404 CO 0.73 0.52 1.15 -1.25 -0.85 0.00 0.00 174.74 175.05 3k4k s PRO 405 N -2.76 0.40 0.30 8.40 0.04 -1.26 -4.83 135.00 135.29 3k4k s PRO 405 Ca 0.22 0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.43 3k4k s PRO 405 Cb -0.08 -1.77 0.47 0.00 0.04 0.00 0.00 34.50 33.16 3k4k s PRO 405 CO 0.11 -2.67 1.72 -0.44 0.04 0.00 0.00 177.00 175.76 3k4k h ASP 406 N -1.83 0.31 -0.98 6.66 3.32 -1.98 -2.20 116.42 119.72 3k4k h ASP 406 Ca -0.49 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.49 3k4k h ASP 406 Cb 1.31 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 3k4k h ASP 406 CO 0.51 0.65 0.64 4.11 -1.72 0.00 0.00 179.24 183.43 3k4k h TRP 407 N 0.26 1.19 0.07 4.55 5.08 -1.99 -0.18 115.95 124.92 3k4k h TRP 407 Ca 0.03 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.03 3k4k h TRP 407 Cb 0.75 -0.40 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 3k4k h TRP 407 CO 0.02 0.67 -0.03 2.35 -1.28 0.00 0.00 178.44 180.16 3k4k h TRP 408 N 1.21 -0.09 -0.43 0.12 2.91 -1.80 -2.77 115.95 115.10 3k4k h TRP 408 Ca 0.39 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.36 3k4k h TRP 408 Cb 0.04 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.70 3k4k h TRP 408 CO -0.00 0.43 0.06 -0.91 -1.03 0.00 0.00 178.44 176.98 3k4k h ASN 409 N -0.68 0.63 -0.61 2.65 2.35 -1.16 -0.69 115.58 118.07 3k4k h ASN 409 Ca -0.01 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3k4k h ASN 409 Cb 0.56 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3k4k h ASN 409 CO 0.02 0.66 0.26 -0.33 -1.65 0.00 0.00 177.43 176.39 3k4k h GLU 410 N 0.64 0.91 -0.41 0.81 4.39 -1.10 0.59 114.58 120.41 3k4k h GLU 410 Ca 0.14 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3k4k h GLU 410 Cb 0.32 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3k4k h GLU 410 CO 0.01 0.76 0.25 0.87 -1.16 0.00 0.00 179.01 179.73 3k4k h LYS 411 N 0.85 0.56 -0.12 2.33 1.79 -1.09 -1.21 116.57 119.68 3k4k h LYS 411 Ca 0.21 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.56 3k4k h LYS 411 Cb 0.18 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3k4k h LYS 411 CO -0.02 0.42 -0.16 0.28 -1.08 0.00 0.00 179.45 178.88 3k4k h VAL 412 N 0.54 1.37 -0.03 0.50 2.07 -0.97 -1.36 116.25 118.36 3k4k h VAL 412 Ca 0.15 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.31 3k4k h VAL 412 Cb 0.00 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3k4k h VAL 412 CO -0.03 0.40 -0.04 0.50 0.02 0.00 0.00 177.57 178.42 3k4k h LYS 413 N -0.08 -0.05 -0.58 1.57 3.64 -0.85 0.19 116.57 120.42 3k4k h LYS 413 Ca 0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3k4k h LYS 413 Cb 0.72 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3k4k h LYS 413 CO 0.04 -0.03 0.23 -0.91 -2.27 0.00 0.00 179.45 176.51 3k4k h ASN 414 N -0.05 0.79 -0.33 4.20 2.35 -1.21 -0.02 115.58 121.30 3k4k h ASN 414 Ca 0.03 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3k4k h ASN 414 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3k4k h ASN 414 CO -0.07 0.74 0.20 -0.74 -1.65 0.00 0.00 177.43 175.92 3k4k h HIS 415 N 0.79 0.44 -0.25 1.19 2.76 -0.76 -0.09 115.15 119.23 3k4k h HIS 415 Ca 0.19 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 3k4k h HIS 415 Cb 0.19 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3k4k h HIS 415 CO 0.01 0.31 -0.14 0.52 -1.30 0.00 0.00 177.93 177.33 3k4k h MET 416 N 0.43 0.43 0.04 5.26 2.86 -0.29 -0.89 114.93 122.78 3k4k h MET 416 Ca 0.12 -0.12 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 3k4k h MET 416 Cb -0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3k4k h MET 416 CO -0.02 0.57 -1.46 0.52 1.06 0.00 0.00 176.91 177.57 3k4k h MET 417 N 0.40 0.09 0.00 1.72 2.07 -0.86 -3.32 114.93 115.03 3k4k h MET 417 Ca 0.07 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 3k4k h MET 417 Cb 0.49 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 3k4k h MET 417 CO 0.03 0.87 -0.64 1.96 1.07 0.00 0.00 176.91 180.19 3k4k h GLN 418 N 0.02 0.00 -2.14 1.72 4.20 -0.92 -3.38 115.11 114.61 3k4k h GLN 418 Ca -0.20 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.96 3k4k h GLN 418 Cb 1.95 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.32 3k4k h GLN 418 CO 0.12 0.00 -0.88 0.72 -0.67 0.00 0.00 178.83 178.12 3k4k n HIS 419 N -2.39 2.14 0.49 2.96 8.25 -0.35 -4.91 115.22 121.42 3k4k n HIS 419 Ca 0.02 -3.91 0.07 0.00 -0.26 0.00 0.00 57.72 53.65 3k4k n HIS 419 Cb 0.48 -0.46 0.33 0.00 1.12 0.00 0.00 29.99 31.46 3k4k n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4k n GLN 420 N 0.30 0.02 0.14 -0.41 6.02 -1.25 -1.08 117.38 121.12 3k4k n GLN 420 Ca 0.28 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.66 3k4k n GLN 420 Cb 0.50 -1.53 0.42 0.00 1.02 0.00 0.00 30.24 30.65 3k4k n GLN 420 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3k4k h GLU 421 N 0.00 0.00 -5.11 -1.09 9.09 -1.91 -3.40 114.58 112.16 3k4k h GLU 421 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.79 3k4k h GLU 421 Cb 0.26 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.22 3k4k h GLU 421 CO 0.00 0.00 -0.48 0.34 0.05 0.00 0.00 179.01 178.92 3k4k s ASP 422 N -4.74 6.14 0.00 3.06 2.15 -0.24 -5.00 116.67 118.04 3k4k s ASP 422 Ca 0.08 0.14 0.26 0.00 0.43 0.00 0.00 52.55 53.46 3k4k s ASP 422 Cb 0.10 -2.12 1.27 0.00 -0.30 0.00 0.00 42.92 41.88 3k4k s ASP 422 CO 0.55 0.05 1.86 -0.81 -0.17 0.00 0.00 175.17 176.64 3k4k n PRO 423 N 4.32 1.37 -4.17 4.34 -0.04 -1.26 -4.87 135.00 134.68 3k4k n PRO 423 Ca -0.14 -0.54 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 3k4k n PRO 423 Cb 0.52 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3k4k n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4k s LEU 424 N -1.86 3.28 0.00 1.53 1.43 -1.26 -5.03 118.68 116.78 3k4k s LEU 424 Ca 0.39 -0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.48 3k4k s LEU 424 Cb 0.19 -2.03 1.12 0.00 0.03 0.00 0.00 46.19 45.51 3k4k s LEU 424 CO 0.31 0.17 1.79 -0.81 0.23 0.00 0.00 176.35 178.04 3k4k n PRO 425 N 0.53 1.11 -3.00 1.29 -0.04 -1.26 -4.84 135.00 128.79 3k4k n PRO 425 Ca -0.12 -0.53 -0.40 0.00 -0.04 0.00 0.00 63.50 62.41 3k4k n PRO 425 Cb 0.52 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 3k4k n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4k s ILE 426 N -2.26 4.99 0.48 0.52 1.01 -1.26 -4.61 121.20 120.07 3k4k s ILE 426 Ca 0.33 1.48 -0.23 0.00 0.00 0.00 0.00 60.65 62.23 3k4k s ILE 426 Cb 0.20 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 3k4k s ILE 426 CO 0.42 0.16 1.10 -2.65 0.00 0.00 0.00 174.94 173.98 3k4k n PRO 427 N 4.40 1.43 -0.35 2.79 -0.02 -1.26 -4.90 135.00 137.09 3k4k n PRO 427 Ca 0.01 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3k4k n PRO 427 Cb 0.50 -2.22 0.14 0.00 -0.02 0.00 0.00 33.50 31.91 3k4k n PRO 427 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3k4k h PHE 428 N 1.42 1.20 -0.52 6.00 0.04 -1.98 -2.31 116.94 120.79 3k4k h PHE 428 Ca -0.47 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.20 3k4k h PHE 428 Cb 1.33 -0.41 -0.08 0.00 2.20 0.00 0.00 35.95 39.00 3k4k h PHE 428 CO 0.43 0.74 0.16 0.39 -0.60 0.00 0.00 178.31 179.43 3k4k n GLU 429 N -4.41 3.15 -2.04 1.51 1.02 -1.26 -4.98 120.64 113.64 3k4k n GLU 429 Ca 0.12 -2.23 -0.42 0.00 -0.02 0.00 0.00 57.16 54.61 3k4k n GLU 429 Cb 0.04 -1.98 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 3k4k n GLU 429 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k4k s ASP 430 N -0.59 6.69 0.87 1.62 2.15 -0.87 -4.95 116.67 121.58 3k4k s ASP 430 Ca 0.40 2.59 -0.11 0.00 0.43 0.00 0.00 52.55 55.86 3k4k s ASP 430 Cb 0.32 -2.61 0.11 0.00 -0.30 0.00 0.00 42.92 40.44 3k4k s ASP 430 CO 0.10 -0.70 1.09 -2.84 -0.17 0.00 0.00 175.17 172.65 3k4k s PRO 431 N 0.13 1.48 0.53 4.34 0.02 -1.26 -4.99 135.00 135.24 3k4k s PRO 431 Ca 0.62 0.97 -0.12 0.00 0.02 0.00 0.00 61.00 62.49 3k4k s PRO 431 Cb -0.41 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 3k4k s PRO 431 CO 0.39 -2.13 0.94 -1.83 -0.33 0.00 0.00 177.00 174.04 3k4k s GLU 432 N -4.89 3.75 0.50 5.54 1.03 -1.26 -4.53 118.70 118.84 3k4k s GLU 432 Ca 0.63 0.72 -0.22 0.00 0.03 0.00 0.00 54.97 56.13 3k4k s GLU 432 Cb -0.18 -2.18 -0.06 0.00 -0.80 0.00 0.00 34.13 30.90 3k4k s GLU 432 CO 0.57 -0.33 1.22 -1.25 -1.33 0.00 0.00 175.26 174.14 3k4k s PRO 433 N -4.51 3.47 -0.41 -4.83 0.04 -1.26 -4.62 135.00 122.88 3k4k s PRO 433 Ca 0.55 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.56 3k4k s PRO 433 Cb -0.10 -2.28 0.24 0.00 0.04 0.00 0.00 34.50 32.39 3k4k s PRO 433 CO 0.41 -0.83 0.56 1.04 0.04 0.00 0.00 177.00 178.23 3k4k n GLN 434 N -0.82 0.67 -4.42 4.56 1.13 -1.25 -3.15 117.38 114.11 3k4k n GLN 434 Ca 0.09 -2.98 -0.30 0.00 -1.94 0.00 0.00 57.00 51.87 3k4k n GLN 434 Cb 0.48 -1.29 -0.11 0.00 0.11 0.00 0.00 30.24 29.42 3k4k n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4k s VAL 435 N -0.77 3.17 -0.10 5.09 1.01 -0.13 -0.41 120.40 128.27 3k4k s VAL 435 Ca 0.34 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3k4k s VAL 435 Cb 0.17 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3k4k s VAL 435 CO -0.14 0.24 0.40 0.28 0.00 0.00 0.00 175.10 175.88 3k4k s THR 436 N -1.07 0.02 -0.23 3.92 -1.32 -0.55 -0.26 115.64 116.15 3k4k s THR 436 Ca 0.18 -0.17 -0.04 0.00 -1.21 0.00 0.00 61.69 60.45 3k4k s THR 436 Cb -0.11 -0.63 -0.00 0.00 -1.51 0.00 0.00 72.50 70.25 3k4k s THR 436 CO 0.09 -0.09 -0.03 0.28 -2.21 0.00 0.00 174.62 172.65 3k4k s THR 437 N -0.46 3.36 0.69 5.08 -1.32 -1.26 -0.93 115.64 120.79 3k4k s THR 437 Ca -0.06 -0.57 -0.14 0.00 -1.21 0.00 0.00 61.69 59.71 3k4k s THR 437 Cb -0.03 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 3k4k s THR 437 CO 0.03 0.37 1.11 -0.76 -2.21 0.00 0.00 174.62 173.15 3k4k s LEU 438 N 1.46 3.31 0.04 9.08 1.43 -1.26 -3.80 118.68 128.94 3k4k s LEU 438 Ca 0.05 1.97 -0.38 0.00 -1.03 0.00 0.00 54.13 54.74 3k4k s LEU 438 Cb -0.15 -4.55 -0.19 0.00 0.03 0.00 0.00 46.19 41.34 3k4k s LEU 438 CO -0.03 -1.74 1.17 0.33 0.23 0.00 0.00 176.35 176.31 3k4k n PHE 439 N -2.67 0.97 -4.08 0.29 -0.00 -1.19 -4.96 117.46 105.82 3k4k n PHE 439 Ca 0.10 0.89 -0.08 0.00 -0.00 0.00 0.00 57.45 58.36 3k4k n PHE 439 Cb 0.52 -2.19 -0.10 0.00 -0.00 0.00 0.00 39.48 37.72 3k4k n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4k s GLN 440 N 0.16 0.73 0.37 -4.13 -1.52 -0.97 -4.92 119.66 109.37 3k4k s GLN 440 Ca 0.88 -1.26 0.13 0.00 -1.95 0.00 0.00 55.36 53.16 3k4k s GLN 440 Cb -1.13 0.23 0.95 0.00 -0.22 0.00 0.00 33.01 32.85 3k4k s GLN 440 CO 0.53 -0.17 1.80 -1.35 -0.25 0.00 0.00 175.29 175.85 3k4k h PRO 441 N 3.03 0.53 0.00 2.91 0.11 -1.99 -0.94 132.00 135.65 3k4k h PRO 441 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k4k h PRO 441 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k4k h PRO 441 CO 0.63 0.35 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 3k4k h SER 442 N 0.55 0.00 -1.82 -2.05 4.64 -2.00 -3.35 113.55 109.52 3k4k h SER 442 Ca 0.55 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.37 3k4k h SER 442 Cb 1.16 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.91 3k4k h SER 442 CO -0.29 0.00 -0.93 1.41 -0.87 0.00 0.00 176.83 176.15 3k4k n HIS 443 N -2.79 -1.25 -1.65 4.77 8.25 -0.44 -5.06 115.22 117.05 3k4k n HIS 443 Ca 0.04 -3.05 -0.41 0.00 -0.26 0.00 0.00 57.72 54.04 3k4k n HIS 443 Cb 0.45 0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.82 3k4k n HIS 443 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3k4k n PRO 444 N 2.12 3.47 -3.85 -0.41 -0.04 -0.72 -2.29 135.00 133.28 3k4k n PRO 444 Ca 0.23 -2.63 -0.11 0.00 -0.04 0.00 0.00 63.50 60.95 3k4k n PRO 444 Cb 0.53 -2.98 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 3k4k n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4k s TRP 445 N 2.02 0.02 0.33 0.54 -2.14 -1.26 -4.19 118.94 114.25 3k4k s TRP 445 Ca 0.56 -0.14 -0.13 0.00 2.66 0.00 0.00 56.10 59.05 3k4k s TRP 445 Cb 0.16 -0.02 -0.08 0.00 -3.10 0.00 0.00 33.47 30.42 3k4k s TRP 445 CO -0.07 -0.36 0.72 -1.58 -2.66 0.00 0.00 176.95 173.00 3k4k s HIS 446 N -1.86 3.40 0.00 1.66 5.65 -0.18 -3.16 115.29 120.80 3k4k s HIS 446 Ca -0.11 1.13 0.05 0.00 0.25 0.00 0.00 55.06 56.38 3k4k s HIS 446 Cb -0.05 -2.48 -0.01 0.00 -1.18 0.00 0.00 32.58 28.86 3k4k s HIS 446 CO -0.00 0.08 -0.15 0.95 -0.65 0.00 0.00 174.74 174.97 3k4k s THR 447 N -2.04 1.15 -0.06 0.89 -4.23 -1.25 -0.54 115.64 109.56 3k4k s THR 447 Ca 0.53 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 3k4k s THR 447 Cb -0.10 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.78 3k4k s THR 447 CO 0.21 0.25 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.40 3k4k s GLN 448 N -0.55 0.86 -0.39 3.99 -0.21 0.60 -4.36 119.66 119.61 3k4k s GLN 448 Ca 0.05 -0.06 0.02 0.00 0.02 0.00 0.00 55.36 55.39 3k4k s GLN 448 Cb -0.06 -0.99 0.12 0.00 1.00 0.00 0.00 33.01 33.08 3k4k s GLN 448 CO -0.00 -0.18 0.16 0.42 -2.12 0.00 0.00 175.29 173.57 3k4k s ILE 449 N 1.37 1.50 0.00 1.08 1.01 0.64 -1.06 121.20 125.74 3k4k s ILE 449 Ca -0.04 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.39 3k4k s ILE 449 Cb -0.13 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3k4k s ILE 449 CO -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 174.94 174.15 3k4k n HIS 450 N 4.04 -0.15 -3.86 3.97 1.44 0.04 -0.95 115.22 119.75 3k4k n HIS 450 Ca 0.04 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.49 3k4k n HIS 450 Cb 0.38 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.32 3k4k n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4k s ARG 451 N 0.50 1.23 0.47 -1.40 1.81 -1.19 -0.03 118.95 120.34 3k4k s ARG 451 Ca 0.00 -0.15 -0.12 0.00 -1.72 0.00 0.00 55.73 53.74 3k4k s ARG 451 Cb 0.00 -1.41 -0.06 0.00 -0.45 0.00 0.00 34.95 33.03 3k4k s ARG 451 CO 0.00 -0.28 0.86 -0.51 -0.68 0.00 0.00 175.30 174.69 3k4k s ASP 452 N 1.79 6.51 0.09 0.23 1.11 -1.26 -5.01 116.67 120.13 3k4k s ASP 452 Ca 0.05 1.28 -0.31 0.00 0.18 0.00 0.00 52.55 53.75 3k4k s ASP 452 Cb -0.12 -2.39 -0.10 0.00 1.07 0.00 0.00 42.92 41.37 3k4k s ASP 452 CO -0.07 -0.52 1.87 0.00 1.18 0.00 0.00 175.17 177.63 3k4k n ALA 453 N -1.60 1.94 -2.47 5.23 0.00 -1.26 -4.98 120.51 117.37 3k4k n ALA 453 Ca 0.04 0.29 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 3k4k n ALA 453 Cb 0.54 -2.60 -0.15 0.00 0.00 0.00 0.00 19.45 17.24 3k4k n ALA 453 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3k4k s ASN 454 N 3.21 2.43 -0.53 0.00 3.84 -1.26 -4.50 114.94 118.13 3k4k s ASN 454 Ca 0.84 -0.46 -0.19 0.00 0.21 0.00 0.00 52.86 53.25 3k4k s ASN 454 Cb -0.49 -0.23 0.06 0.00 -0.55 0.00 0.00 41.25 40.05 3k4k s ASN 454 CO 0.39 0.19 0.67 -0.94 -2.79 0.00 0.00 177.10 174.62 3k4k s SER 455 N -0.92 6.22 0.05 -4.21 1.04 -1.26 -4.65 113.70 109.97 3k4k s SER 455 Ca 0.08 -0.97 -0.20 0.00 0.48 0.00 0.00 55.95 55.34 3k4k s SER 455 Cb -0.08 -2.30 -0.06 0.00 0.10 0.00 0.00 66.02 63.67 3k4k s SER 455 CO 0.01 -0.96 0.58 -0.31 0.98 0.00 0.00 173.24 173.53 3k4k s TYR 456 N 2.76 3.77 0.88 5.02 2.02 -1.26 -5.07 117.35 125.46 3k4k s TYR 456 Ca 0.16 1.25 -0.12 0.00 -0.37 0.00 0.00 57.07 57.99 3k4k s TYR 456 Cb -0.20 -2.53 0.11 0.00 -0.40 0.00 0.00 41.96 38.94 3k4k s TYR 456 CO 0.11 0.51 1.06 0.41 -1.57 0.00 0.00 175.55 176.08 3k4k n GLY 457 N 1.96 -0.47 0.30 0.71 0.00 -1.26 -4.74 105.19 101.68 3k4k n GLY 457 Ca -0.09 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.42 3k4k n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4k h ALA 458 N -1.46 2.16 0.00 4.61 0.00 -1.98 -0.95 119.26 121.63 3k4k h ALA 458 Ca -0.44 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 3k4k h ALA 458 Cb 1.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3k4k h ALA 458 CO 0.42 -0.23 -0.89 0.28 0.00 0.00 0.00 179.25 178.83 3k4k h VAL 459 N 0.00 1.50 0.00 0.00 2.07 -1.99 -3.09 116.25 114.74 3k4k h VAL 459 Ca 0.09 -3.13 -0.08 0.00 0.82 0.00 0.00 66.70 64.40 3k4k h VAL 459 Cb 0.35 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3k4k h VAL 459 CO -0.00 0.86 -0.38 1.56 0.02 0.00 0.00 177.57 179.62 3k4k h GLN 460 N 0.00 0.00 0.00 1.57 4.20 -1.56 -2.64 115.11 116.68 3k4k h GLN 460 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3k4k h GLN 460 Cb 1.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.46 3k4k h GLN 460 CO 0.11 0.38 0.00 1.04 -0.67 0.00 0.00 178.83 179.70 3k4k n GLN 461 N -3.27 0.06 0.10 1.46 6.02 -0.48 -1.85 117.38 119.43 3k4k n GLN 461 Ca 0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 3k4k n GLN 461 Cb 0.63 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.70 3k4k n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4k h SER 462 N 0.00 0.25 -3.11 1.08 0.87 -1.39 -3.44 113.55 107.80 3k4k h SER 462 Ca 0.00 -0.08 -0.61 0.00 -1.23 0.00 0.00 61.79 59.88 3k4k h SER 462 Cb 0.21 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.03 3k4k h SER 462 CO 0.00 0.52 -0.27 -0.63 -0.53 0.00 0.00 176.83 175.91 3k4k s ILE 463 N -4.44 5.21 0.20 2.23 -1.09 -0.77 -5.03 121.20 117.51 3k4k s ILE 463 Ca -0.05 0.67 -0.33 0.00 -2.23 0.00 0.00 60.65 58.72 3k4k s ILE 463 Cb 0.14 -3.66 -0.13 0.00 -1.58 0.00 0.00 42.46 37.24 3k4k s ILE 463 CO 0.75 0.48 1.68 -0.67 -1.23 0.00 0.00 174.94 175.96 3k4k n ASP 464 N 2.72 3.74 0.29 3.58 -0.08 -1.26 -4.87 116.55 120.67 3k4k n ASP 464 Ca -0.13 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.35 3k4k n ASP 464 Cb 0.52 -1.53 0.83 0.00 2.34 0.00 0.00 41.12 43.28 3k4k n ASP 464 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k4k h SER 465 N 6.51 0.00 0.15 1.67 4.64 -1.94 -1.48 113.55 123.10 3k4k h SER 465 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3k4k h SER 465 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k4k h SER 465 CO 0.94 0.00 -0.07 0.03 -0.87 0.00 0.00 176.83 176.86 3k4k h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.96 -2.25 114.38 118.02 3k4k h ARG 466 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4k h ARG 466 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3k4k h ARG 466 CO 0.00 0.07 -0.23 1.28 -1.07 0.00 0.00 179.97 180.03 3k4k n LEU 467 N -3.94 0.47 -4.77 3.04 4.77 -0.56 -4.93 117.00 111.08 3k4k n LEU 467 Ca -0.03 0.37 -0.36 0.00 -0.03 0.00 0.00 56.01 55.96 3k4k n LEU 467 Cb 0.16 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3k4k n LEU 467 CO 0.31 -0.04 -0.10 -0.63 -1.33 0.00 0.00 177.39 175.60 3k4k s ILE 468 N -3.06 5.36 -0.05 -0.08 1.01 -0.85 -0.44 121.20 123.10 3k4k s ILE 468 Ca 0.11 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.16 3k4k s ILE 468 Cb 0.16 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 39.10 3k4k s ILE 468 CO 0.62 0.47 -0.12 -0.69 0.00 0.00 0.00 174.94 175.22 3k4k s VAL 469 N -0.03 1.08 0.03 2.92 1.01 -0.72 -4.94 120.40 119.75 3k4k s VAL 469 Ca 0.14 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3k4k s VAL 469 Cb -0.12 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 3k4k s VAL 469 CO 0.03 0.33 0.41 -1.81 0.00 0.00 0.00 175.10 174.06 3k4k s ASP 470 N 0.39 6.75 -0.13 3.32 1.11 0.96 -0.86 116.67 128.20 3k4k s ASP 470 Ca -0.09 0.90 0.01 0.00 0.18 0.00 0.00 52.55 53.56 3k4k s ASP 470 Cb -0.13 -2.23 0.02 0.00 1.07 0.00 0.00 42.92 41.66 3k4k s ASP 470 CO 0.02 0.27 -0.14 0.26 1.18 0.00 0.00 175.17 176.76 3k4k s TRP 471 N -1.20 2.01 -0.10 4.23 0.52 0.17 -0.78 118.94 123.78 3k4k s TRP 471 Ca 0.27 -1.05 -0.00 0.00 0.02 0.00 0.00 56.10 55.34 3k4k s TRP 471 Cb -0.16 -1.48 0.02 0.00 -1.15 0.00 0.00 33.47 30.71 3k4k s TRP 471 CO 0.15 -0.58 -0.06 1.03 0.02 0.00 0.00 176.95 177.51 3k4k s ARG 472 N 1.32 1.32 -0.09 4.98 0.52 -0.23 -1.87 118.95 124.90 3k4k s ARG 472 Ca 0.00 -0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3k4k s ARG 472 Cb -0.14 -1.41 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 3k4k s ARG 472 CO -0.07 -0.24 -0.18 -0.06 0.02 0.00 0.00 175.30 174.77 3k4k s PHE 473 N 1.64 2.64 -0.17 -0.53 0.40 -0.79 -0.29 117.98 120.89 3k4k s PHE 473 Ca 0.03 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.73 3k4k s PHE 473 Cb -0.13 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.71 3k4k s PHE 473 CO -0.06 -0.17 -0.19 -0.06 0.70 0.00 0.00 175.22 175.44 3k4k s PHE 474 N -0.01 2.65 0.43 0.36 0.40 0.30 -1.50 117.98 120.61 3k4k s PHE 474 Ca -0.06 -1.53 -0.01 0.00 -0.60 0.00 0.00 56.93 54.73 3k4k s PHE 474 Cb -0.15 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 3k4k s PHE 474 CO 0.05 -0.76 0.66 0.20 0.70 0.00 0.00 175.22 176.07 3k4k s GLY 475 N 1.26 1.49 -0.11 4.36 0.00 0.28 -1.01 107.32 113.60 3k4k s GLY 475 Ca 0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.73 3k4k s GLY 475 CO -0.11 -0.78 0.22 1.09 0.00 0.00 0.00 173.10 173.52 3k4k s ARG 476 N -4.54 3.71 -0.19 2.90 1.70 -1.26 -3.92 118.95 117.36 3k4k s ARG 476 Ca 0.46 0.01 -0.02 0.00 -0.47 0.00 0.00 55.73 55.71 3k4k s ARG 476 Cb -0.10 -3.25 -0.01 0.00 -0.57 0.00 0.00 34.95 31.03 3k4k s ARG 476 CO 0.39 0.65 -0.09 0.99 -1.08 0.00 0.00 175.30 176.16 3k4k s THR 477 N -0.73 3.13 0.29 4.99 2.01 -1.26 -4.75 115.64 119.33 3k4k s THR 477 Ca 0.16 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 3k4k s THR 477 Cb -0.13 -2.38 -0.12 0.00 0.01 0.00 0.00 72.50 69.88 3k4k s THR 477 CO 0.05 0.47 1.60 -0.62 -0.69 0.00 0.00 174.62 175.43 3k4k n GLU 478 N 4.38 2.71 -2.46 4.92 1.02 -1.26 -4.02 120.64 125.92 3k4k n GLU 478 Ca -0.18 0.96 -0.42 0.00 -0.02 0.00 0.00 57.16 57.50 3k4k n GLU 478 Cb 0.51 -2.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.16 3k4k n GLU 478 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3k4k s PRO 479 N -0.50 4.43 -0.02 3.49 0.04 -1.26 -4.84 135.00 136.34 3k4k s PRO 479 Ca 0.64 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.41 3k4k s PRO 479 Cb -0.50 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 30.65 3k4k s PRO 479 CO 0.48 -0.27 -0.06 0.15 0.04 0.00 0.00 177.00 177.34 3k4k s LYS 480 N 1.29 0.64 0.40 4.56 -0.14 -1.26 -5.00 119.74 120.23 3k4k s LYS 480 Ca 0.57 -0.18 0.07 0.00 -1.36 0.00 0.00 55.97 55.08 3k4k s LYS 480 Cb -0.28 -0.64 0.84 0.00 -1.68 0.00 0.00 37.83 36.08 3k4k s LYS 480 CO 0.28 0.06 2.03 1.49 -0.76 0.00 0.00 175.35 178.44 3k4k h GLU 481 N 6.45 0.59 0.00 1.68 4.81 -1.93 -1.61 114.58 124.56 3k4k h GLU 481 Ca -0.33 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3k4k h GLU 481 Cb 1.17 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3k4k h GLU 481 CO 0.49 0.39 -0.07 1.05 -0.73 0.00 0.00 179.01 180.13 3k4k h GLU 482 N 0.60 0.00 -6.06 1.92 9.09 -1.96 -3.32 114.58 114.85 3k4k h GLU 482 Ca 0.20 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.02 3k4k h GLU 482 Cb 0.06 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.07 3k4k h GLU 482 CO -0.05 0.07 0.58 -0.80 0.05 0.00 0.00 179.01 178.87 3k4k s ASN 483 N -5.83 6.68 0.07 3.06 0.01 -0.62 -4.78 114.94 113.54 3k4k s ASN 483 Ca -0.01 0.59 0.04 0.00 -0.71 0.00 0.00 52.86 52.77 3k4k s ASN 483 Cb 0.11 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 3k4k s ASN 483 CO 0.55 -0.84 -0.12 -0.54 -1.51 0.00 0.00 177.10 174.65 3k4k s LYS 484 N 3.43 0.78 -0.19 -0.60 1.02 -0.09 -1.34 119.74 122.74 3k4k s LYS 484 Ca 0.38 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 3k4k s LYS 484 Cb -0.12 -0.65 0.01 0.00 -0.52 0.00 0.00 37.83 36.55 3k4k s LYS 484 CO 0.18 0.13 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.44 3k4k s LEU 485 N -1.92 2.45 0.33 3.17 2.96 0.49 -0.97 118.68 125.19 3k4k s LEU 485 Ca -0.01 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3k4k s LEU 485 Cb -0.08 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3k4k s LEU 485 CO 0.01 0.00 0.10 -1.66 -1.32 0.00 0.00 176.35 173.48 3k4k s TRP 486 N 1.32 1.77 -0.04 5.38 1.48 -0.18 -4.52 118.94 124.15 3k4k s TRP 486 Ca 0.04 -1.16 0.01 0.00 -1.06 0.00 0.00 56.10 53.94 3k4k s TRP 486 Cb -0.14 -1.10 0.02 0.00 -1.16 0.00 0.00 33.47 31.09 3k4k s TRP 486 CO -0.08 -0.23 -0.05 -0.06 -4.06 0.00 0.00 176.95 172.47 3k4k s PHE 487 N -3.43 0.68 0.40 1.66 0.08 -1.26 -0.03 117.98 116.09 3k4k s PHE 487 Ca 0.33 -0.17 -0.26 0.00 0.12 0.00 0.00 56.93 56.95 3k4k s PHE 487 Cb 0.06 -0.59 -0.09 0.00 -0.57 0.00 0.00 43.02 41.83 3k4k s PHE 487 CO 0.15 -0.15 1.31 0.45 -0.10 0.00 0.00 175.22 176.88 3k4k s SER 488 N 0.72 6.36 0.00 1.36 0.15 -0.46 -0.29 113.70 121.55 3k4k s SER 488 Ca -0.09 2.66 0.29 0.00 0.70 0.00 0.00 55.95 59.51 3k4k s SER 488 Cb -0.12 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.73 3k4k s SER 488 CO 0.00 -0.81 1.82 -0.90 1.20 0.00 0.00 173.24 174.54 3k4k n ASP 489 N 0.21 1.08 0.00 5.45 5.68 -1.26 -4.05 116.55 123.65 3k4k n ASP 489 Ca 0.03 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 3k4k n ASP 489 Cb 0.43 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3k4k n ASP 489 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3k4k n LYS 490 N -0.24 0.28 -2.94 0.11 2.85 -1.26 -5.03 118.16 111.93 3k4k n LYS 490 Ca 0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.05 3k4k n LYS 490 Cb 0.30 -0.73 -0.06 0.00 -0.65 0.00 0.00 35.03 33.89 3k4k n LYS 490 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3k4k s ILE 491 N -1.46 4.32 0.13 0.58 -1.09 -1.26 -5.00 121.20 117.41 3k4k s ILE 491 Ca 0.00 1.75 0.09 0.00 -2.23 0.00 0.00 60.65 60.25 3k4k s ILE 491 Cb 0.00 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3k4k s ILE 491 CO 0.00 0.47 -0.20 0.42 -1.23 0.00 0.00 174.94 174.40 3k4k s THR 492 N -1.22 1.80 0.32 2.92 -4.23 -1.26 -0.98 115.64 112.99 3k4k s THR 492 Ca 0.38 -1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3k4k s THR 492 Cb -0.23 -1.70 0.07 0.00 1.34 0.00 0.00 72.50 71.99 3k4k s THR 492 CO 0.27 -0.14 0.44 -0.90 -0.54 0.00 0.00 174.62 173.74 3k4k n ASP 493 N 0.78 0.16 0.33 3.99 5.68 0.30 -4.76 116.55 123.03 3k4k n ASP 493 Ca -0.17 -1.23 0.22 0.00 -0.50 0.00 0.00 54.79 53.11 3k4k n ASP 493 Cb 0.55 -0.32 1.17 0.00 -1.14 0.00 0.00 41.12 41.37 3k4k n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4k h ALA 494 N -1.54 1.00 -0.38 2.12 0.00 -1.98 -0.97 119.26 117.50 3k4k h ALA 494 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k4k h ALA 494 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3k4k h ALA 494 CO 0.11 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.02 3k4k n TYR 495 N -3.05 1.23 -2.40 0.00 4.02 -1.26 -4.94 117.16 110.75 3k4k n TYR 495 Ca -0.03 -0.79 -0.20 0.00 -0.01 0.00 0.00 57.90 56.88 3k4k n TYR 495 Cb 0.08 -0.33 -0.01 0.00 -0.02 0.00 0.00 39.34 39.06 3k4k n TYR 495 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3k4k n ASN 496 N -0.00 -5.77 -4.79 7.72 5.15 -0.37 -5.00 115.26 112.21 3k4k n ASN 496 Ca 0.22 -0.03 -0.28 0.00 -0.60 0.00 0.00 54.58 53.90 3k4k n ASN 496 Cb 0.93 -4.78 -0.06 0.00 -0.53 0.00 0.00 39.78 35.34 3k4k n ASN 496 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3k4k s MET 497 N -5.03 2.88 0.12 1.20 -1.94 -1.26 -4.83 119.30 110.44 3k4k s MET 497 Ca 0.01 -0.80 -0.35 0.00 -1.71 0.00 0.00 55.69 52.84 3k4k s MET 497 Cb -0.00 -2.68 -0.16 0.00 2.01 0.00 0.00 34.83 34.00 3k4k s MET 497 CO 0.01 0.52 1.41 -2.30 -0.01 0.00 0.00 175.02 174.65 3k4k n PRO 498 N 0.01 1.51 -2.19 2.03 -0.02 -1.26 -0.54 135.00 134.54 3k4k n PRO 498 Ca -0.08 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3k4k n PRO 498 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3k4k n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4k s GLN 499 N 0.56 4.27 0.40 -0.52 2.00 -0.15 -4.63 119.66 121.59 3k4k s GLN 499 Ca 0.81 2.01 -0.26 0.00 -2.00 0.00 0.00 55.36 55.93 3k4k s GLN 499 Cb -0.85 -3.56 -0.09 0.00 0.80 0.00 0.00 33.01 29.31 3k4k s GLN 499 CO 0.44 -0.59 1.23 -1.25 -0.50 0.00 0.00 175.29 174.62 3k4k s PRO 500 N 2.38 4.03 -0.01 1.67 0.04 -1.26 -1.35 135.00 140.49 3k4k s PRO 500 Ca 0.65 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3k4k s PRO 500 Cb -0.32 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.49 3k4k s PRO 500 CO 0.27 -0.39 0.00 0.99 0.04 0.00 0.00 177.00 177.92 3k4k s THR 501 N -1.33 0.03 -0.03 1.26 2.01 0.96 -4.60 115.64 113.94 3k4k s THR 501 Ca 0.57 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 3k4k s THR 501 Cb -0.34 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 3k4k s THR 501 CO 0.44 0.05 0.11 -0.36 -0.69 0.00 0.00 174.62 174.16 3k4k s PHE 502 N 0.39 3.39 -0.37 4.92 0.08 -1.26 -1.01 117.98 124.12 3k4k s PHE 502 Ca -0.03 0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.32 3k4k s PHE 502 Cb -0.05 -1.80 0.11 0.00 -0.57 0.00 0.00 43.02 40.72 3k4k s PHE 502 CO -0.01 0.60 0.15 0.34 -0.10 0.00 0.00 175.22 176.20 3k4k s ASP 503 N -1.60 3.95 -0.02 1.36 -1.08 -0.15 -4.63 116.67 114.50 3k4k s ASP 503 Ca 0.22 -2.11 -0.01 0.00 -0.52 0.00 0.00 52.55 50.13 3k4k s ASP 503 Cb -0.12 -1.02 0.01 0.00 -1.46 0.00 0.00 42.92 40.33 3k4k s ASP 503 CO 0.13 -0.35 0.04 0.12 0.52 0.00 0.00 175.17 175.63 3k4k s PHE 504 N 1.01 -0.04 -0.00 -5.34 2.19 -0.37 -0.92 117.98 114.51 3k4k s PHE 504 Ca 0.13 0.12 -0.02 0.00 0.33 0.00 0.00 56.93 57.49 3k4k s PHE 504 Cb -0.21 -0.01 -0.00 0.00 -1.31 0.00 0.00 43.02 41.49 3k4k s PHE 504 CO -0.12 -0.03 0.03 1.03 1.83 0.00 0.00 175.22 177.96 3k4k s ARG 505 N 0.17 0.18 0.21 10.12 1.81 -1.26 -3.90 118.95 126.27 3k4k s ARG 505 Ca -0.01 -0.19 -0.32 0.00 -1.72 0.00 0.00 55.73 53.48 3k4k s ARG 505 Cb -0.02 0.07 -0.12 0.00 -0.45 0.00 0.00 34.95 34.43 3k4k s ARG 505 CO -0.00 -0.03 1.71 1.19 -0.68 0.00 0.00 175.30 177.48 3k4k n PHE 506 N 2.43 2.71 -0.93 -0.53 3.72 -1.26 -4.93 117.46 118.68 3k4k n PHE 506 Ca -0.17 0.07 -0.35 0.00 -0.05 0.00 0.00 57.45 56.95 3k4k n PHE 506 Cb 0.58 -2.66 0.08 0.00 -0.94 0.00 0.00 39.48 36.54 3k4k n PHE 506 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3k4k n PRO 507 N 3.86 -0.12 0.03 -1.08 -0.02 -1.26 -4.84 135.00 131.57 3k4k n PRO 507 Ca 0.16 -0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 3k4k n PRO 507 Cb 0.34 -1.52 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 3k4k n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4k n ALA 508 N -3.02 2.92 -1.62 3.55 0.00 -1.26 -3.19 120.51 117.88 3k4k n ALA 508 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3k4k n ALA 508 Cb 0.54 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3k4k n ALA 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4k n GLY 509 N 1.27 0.68 0.10 0.00 0.00 -1.26 -4.46 105.19 101.52 3k4k n GLY 509 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3k4k n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4k h ARG 510 N 0.00 0.06 -0.27 1.61 2.43 -1.99 -0.44 114.38 115.78 3k4k h ARG 510 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3k4k h ARG 510 Cb 0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3k4k h ARG 510 CO 0.00 0.04 0.11 1.15 -1.51 0.00 0.00 179.97 179.76 3k4k h THR 511 N 0.06 0.96 -0.28 0.20 2.02 -1.85 0.14 112.91 114.16 3k4k h THR 511 Ca 0.08 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3k4k h THR 511 Cb 0.09 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3k4k h THR 511 CO -0.13 0.04 -0.09 0.28 0.37 0.00 0.00 175.52 176.00 3k4k h SER 512 N 0.24 0.55 -0.49 4.18 0.02 -1.49 -0.40 113.55 116.16 3k4k h SER 512 Ca 0.11 -0.38 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 3k4k h SER 512 Cb 0.06 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.39 3k4k h SER 512 CO -0.10 0.81 0.18 0.50 -1.14 0.00 0.00 176.83 177.07 3k4k h LYS 513 N 0.29 0.34 -0.49 3.45 3.64 -0.80 -1.71 116.57 121.30 3k4k h LYS 513 Ca 0.07 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3k4k h LYS 513 Cb 0.58 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3k4k h LYS 513 CO 0.03 0.23 -0.05 0.93 -2.27 0.00 0.00 179.45 178.32 3k4k h GLU 514 N 0.35 0.85 -0.53 1.90 5.08 -0.67 -1.22 114.58 120.34 3k4k h GLU 514 Ca 0.23 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3k4k h GLU 514 Cb 0.25 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3k4k h GLU 514 CO -0.24 0.88 0.26 0.00 -1.00 0.00 0.00 179.01 178.91 3k4k h ALA 515 N 1.16 0.69 -0.19 3.43 0.00 -0.28 0.19 119.26 124.26 3k4k h ALA 515 Ca 0.14 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3k4k h ALA 515 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3k4k h ALA 515 CO 0.03 0.25 -0.55 1.49 0.00 0.00 0.00 179.25 180.47 3k4k h GLU 516 N 0.72 0.56 -0.58 0.00 4.57 -1.22 -1.56 114.58 117.07 3k4k h GLU 516 Ca 0.18 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3k4k h GLU 516 Cb 0.12 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3k4k h GLU 516 CO -0.02 0.97 0.35 -0.44 -1.18 0.00 0.00 179.01 178.69 3k4k h ASP 517 N 0.43 0.68 -0.49 1.04 3.32 -0.80 -1.98 116.42 118.64 3k4k h ASP 517 Ca 0.01 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3k4k h ASP 517 Cb 1.10 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3k4k h ASP 517 CO 0.10 0.52 0.07 -0.03 -1.72 0.00 0.00 179.24 178.19 3k4k h MET 518 N 0.79 0.81 -0.18 3.56 1.85 -0.36 0.11 114.93 121.51 3k4k h MET 518 Ca 0.21 -0.22 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 3k4k h MET 518 Cb -0.04 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 31.86 3k4k h MET 518 CO -0.04 0.82 -0.07 1.98 -0.40 0.00 0.00 176.91 179.19 3k4k h MET 519 N 0.68 -0.05 -0.55 0.39 1.85 -0.89 -0.95 114.93 115.41 3k4k h MET 519 Ca 0.15 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.27 3k4k h MET 519 Cb 0.40 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.40 3k4k h MET 519 CO 0.01 -0.03 0.32 1.15 -0.40 0.00 0.00 176.91 177.96 3k4k h THR 520 N -0.05 1.03 -1.01 -0.77 2.02 -1.19 -1.38 112.91 111.55 3k4k h THR 520 Ca 0.10 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3k4k h THR 520 Cb 0.19 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 3k4k h THR 520 CO -0.22 0.11 0.66 -0.78 0.37 0.00 0.00 175.52 175.67 3k4k h ASP 521 N 0.63 1.11 -0.60 4.18 3.58 -0.25 0.32 116.42 125.39 3k4k h ASP 521 Ca 0.23 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3k4k h ASP 521 Cb 0.06 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 3k4k h ASP 521 CO -0.12 0.77 0.30 -0.03 -2.88 0.00 0.00 179.24 177.28 3k4k h MET 522 N 1.30 0.86 -0.63 0.28 4.05 -0.67 0.19 114.93 120.30 3k4k h MET 522 Ca 0.40 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.69 3k4k h MET 522 Cb -0.03 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.58 3k4k h MET 522 CO -0.12 0.69 0.36 0.00 0.23 0.00 0.00 176.91 178.08 3k4k h VAL 524 N 0.86 1.35 -0.18 0.00 2.07 -0.76 -2.93 116.25 116.66 3k4k h VAL 524 Ca 0.22 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3k4k h VAL 524 Cb 0.01 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3k4k h VAL 524 CO -0.04 0.35 -0.03 -0.03 0.02 0.00 0.00 177.57 177.84 3k4k h MET 525 N -0.12 0.34 -0.23 1.57 -1.53 -0.93 -3.10 114.93 110.92 3k4k h MET 525 Ca 0.02 -0.12 -0.01 0.00 -3.44 0.00 0.00 59.70 56.14 3k4k h MET 525 Cb 0.60 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 3k4k h MET 525 CO 0.02 0.59 0.09 0.66 0.14 0.00 0.00 176.91 178.41 3k4k h SER 526 N 0.07 0.29 0.35 1.39 4.64 -0.90 -1.55 113.55 117.84 3k4k h SER 526 Ca 0.05 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3k4k h SER 526 Cb 0.45 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3k4k h SER 526 CO 0.02 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 3k4k h ALA 527 N 1.78 1.00 0.00 5.18 0.00 -1.43 -0.47 119.26 125.31 3k4k h ALA 527 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k4k h ALA 527 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k4k h ALA 527 CO -0.01 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.11 3k4k h LYS 528 N 0.00 0.00 0.00 0.00 1.57 -1.37 -3.32 116.57 113.45 3k4k h LYS 528 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3k4k h LYS 528 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3k4k h LYS 528 CO 0.00 0.00 -1.90 -0.89 -0.57 0.00 0.00 179.45 176.09 3k4k n ILE 529 N -2.91 0.91 0.00 1.86 2.08 -0.24 -4.96 119.36 116.09 3k4k n ILE 529 Ca 0.02 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.94 3k4k n ILE 529 Cb 0.36 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 3k4k n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4k n GLY 530 N 2.61 -0.10 3.81 7.39 0.00 -0.84 -0.45 105.19 117.61 3k4k n GLY 530 Ca -0.27 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3k4k n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4k s GLY 531 N 0.00 1.64 0.60 -0.02 0.00 -1.22 -4.00 107.32 104.31 3k4k s GLY 531 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.46 3k4k s GLY 531 CO 0.00 0.30 1.27 -1.36 0.00 0.00 0.00 173.10 173.32 3k4k s PHE 532 N -3.10 2.26 -0.25 1.90 0.08 -1.26 -1.18 117.98 116.43 3k4k s PHE 532 Ca 0.60 1.47 -0.28 0.00 0.12 0.00 0.00 56.93 58.84 3k4k s PHE 532 Cb -0.14 -3.63 0.01 0.00 -0.57 0.00 0.00 43.02 38.68 3k4k s PHE 532 CO 0.55 -2.62 1.01 -1.17 -0.10 0.00 0.00 175.22 172.89 3k4k s LEU 533 N -4.02 4.06 0.31 -0.37 2.96 0.74 -4.66 118.68 117.70 3k4k s LEU 533 Ca 0.78 1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 55.63 3k4k s LEU 533 Cb -0.35 -3.47 -0.13 0.00 0.50 0.00 0.00 46.19 42.73 3k4k s LEU 533 CO 0.39 -0.69 1.27 -2.65 -1.32 0.00 0.00 176.35 173.35 3k4k n PRO 534 N 6.39 1.98 -0.02 0.98 -0.02 -1.26 -0.59 135.00 142.46 3k4k n PRO 534 Ca 0.11 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3k4k n PRO 534 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3k4k n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4k n GLY 535 N 1.14 1.67 2.67 -1.23 0.00 -1.26 -4.80 105.19 103.38 3k4k n GLY 535 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3k4k n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4k n SER 536 N 0.00 1.82 -4.83 1.61 7.64 0.24 -5.07 113.62 115.03 3k4k n SER 536 Ca 0.00 -2.66 -0.31 0.00 1.01 0.00 0.00 58.87 56.91 3k4k n SER 536 Cb 0.00 -0.51 0.03 0.00 -1.01 0.00 0.00 64.21 62.73 3k4k n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4k s LEU 537 N -3.33 3.21 0.20 -3.43 1.43 -1.24 -1.67 118.68 113.85 3k4k s LEU 537 Ca 0.29 1.59 -0.32 0.00 -1.03 0.00 0.00 54.13 54.66 3k4k s LEU 537 Cb 0.42 -4.49 -0.12 0.00 0.03 0.00 0.00 46.19 42.02 3k4k s LEU 537 CO 0.00 -1.26 1.69 -0.81 0.23 0.00 0.00 176.35 176.20 3k4k n PRO 538 N -2.88 2.63 -3.52 1.29 -0.04 -1.26 -4.57 135.00 126.65 3k4k n PRO 538 Ca 0.07 0.95 -0.15 0.00 -0.04 0.00 0.00 63.50 64.33 3k4k n PRO 538 Cb 0.54 -2.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.17 3k4k n PRO 538 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3k4k s GLN 539 N 1.05 1.09 0.14 0.54 -2.07 -0.70 -4.99 119.66 114.72 3k4k s GLN 539 Ca 0.76 -0.10 -0.27 0.00 -1.82 0.00 0.00 55.36 53.93 3k4k s GLN 539 Cb -0.55 0.50 -0.07 0.00 -1.09 0.00 0.00 33.01 31.81 3k4k s GLN 539 CO 0.34 -0.39 0.85 -0.06 -1.32 0.00 0.00 175.29 174.70 3k4k s PHE 540 N -2.23 3.87 0.53 9.60 0.08 -1.26 -1.36 117.98 127.21 3k4k s PHE 540 Ca -0.06 1.69 -0.06 0.00 0.12 0.00 0.00 56.93 58.62 3k4k s PHE 540 Cb -0.01 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.53 3k4k s PHE 540 CO 0.00 0.39 0.85 -1.64 -0.10 0.00 0.00 175.22 174.73 3k4k s MET 541 N -0.68 3.42 0.10 0.44 -1.94 0.34 -4.96 119.30 116.02 3k4k s MET 541 Ca 0.40 0.26 -0.36 0.00 -1.71 0.00 0.00 55.69 54.28 3k4k s MET 541 Cb -0.23 -2.30 -0.17 0.00 2.01 0.00 0.00 34.83 34.14 3k4k s MET 541 CO 0.27 -0.38 1.27 -1.91 -0.01 0.00 0.00 175.02 174.26 3k4k n GLU 542 N -2.42 1.06 -1.66 2.03 2.13 -1.26 -4.74 120.64 115.78 3k4k n GLU 542 Ca 0.02 0.38 -0.48 0.00 0.66 0.00 0.00 57.16 57.75 3k4k n GLU 542 Cb 0.55 -1.97 -0.05 0.00 0.27 0.00 0.00 31.44 30.25 3k4k n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3k4k n PRO 543 N 2.23 1.95 -0.35 5.31 -0.02 -1.26 -1.49 135.00 141.38 3k4k n PRO 543 Ca 0.18 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3k4k n PRO 543 Cb 0.20 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3k4k n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4k n GLY 544 N 3.49 1.38 0.26 -1.23 0.00 -1.26 -0.46 105.19 107.37 3k4k n GLY 544 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3k4k n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4k h LEU 545 N 0.00 0.00 -1.95 0.99 5.85 -1.31 -1.80 115.31 117.09 3k4k h LEU 545 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k4k h LEU 545 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3k4k h LEU 545 CO 0.00 0.04 -0.11 1.62 -0.34 0.00 0.00 178.44 179.65 3k4k h VAL 546 N 0.00 0.76 -5.74 1.05 3.04 -1.87 -3.47 116.25 110.02 3k4k h VAL 546 Ca -0.00 -0.42 -0.35 0.00 -1.01 0.00 0.00 66.70 64.92 3k4k h VAL 546 Cb 0.08 1.25 0.15 0.00 -2.01 0.00 0.00 31.29 30.76 3k4k h VAL 546 CO 0.01 0.11 -0.76 0.18 -1.01 0.00 0.00 177.57 176.09 3k4k n LEU 547 N -3.95 -3.81 -0.85 3.16 4.77 -0.68 -4.92 117.00 110.72 3k4k n LEU 547 Ca -0.02 -0.62 0.04 0.00 -0.03 0.00 0.00 56.01 55.37 3k4k n LEU 547 Cb 0.20 -3.06 0.17 0.00 -2.33 0.00 0.00 43.42 38.39 3k4k n LEU 547 CO 0.32 0.44 0.30 1.41 -1.33 0.00 0.00 177.39 178.53 3k4k n HIS 548 N -4.33 0.20 -1.74 -1.77 8.25 -1.26 -5.03 115.22 109.54 3k4k n HIS 548 Ca -0.22 -1.41 -0.42 0.00 -0.26 0.00 0.00 57.72 55.40 3k4k n HIS 548 Cb 0.65 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 3k4k n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4k n LEU 549 N -0.85 4.21 -4.18 2.41 7.94 -1.26 -4.56 117.00 120.70 3k4k n LEU 549 Ca 0.19 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 56.13 3k4k n LEU 549 Cb 0.78 -1.57 -0.09 0.00 0.53 0.00 0.00 43.42 43.06 3k4k n LEU 549 CO -0.01 0.03 -0.19 -0.83 -1.11 0.00 0.00 177.39 175.29 3k4k s GLY 550 N 0.35 1.37 0.00 -3.96 0.00 0.01 -4.35 107.32 100.73 3k4k s GLY 550 Ca 0.63 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3k4k s GLY 550 CO 0.51 -1.32 0.00 0.61 0.00 0.00 0.00 173.10 172.91 3k4k n GLY 551 N -0.29 0.53 0.20 0.20 0.00 -0.91 -0.65 105.19 104.27 3k4k n GLY 551 Ca 0.02 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3k4k n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4k h THR 552 N 0.00 0.56 -1.85 2.61 1.35 -1.75 -3.30 112.91 110.52 3k4k h THR 552 Ca 0.00 -1.43 -0.50 0.00 -0.55 0.00 0.00 66.41 63.93 3k4k h THR 552 Cb 0.00 2.00 -0.38 0.00 -1.73 0.00 0.00 68.15 68.04 3k4k h THR 552 CO 0.00 0.27 -1.11 0.00 -0.25 0.00 0.00 175.52 174.43 3k4k n HIS 553 N -3.29 -0.29 -1.87 4.73 1.44 -0.44 -0.97 115.22 114.53 3k4k n HIS 553 Ca 0.01 -3.57 -0.32 0.00 -2.01 0.00 0.00 57.72 51.83 3k4k n HIS 553 Cb 0.54 -0.24 0.03 0.00 0.12 0.00 0.00 29.99 30.43 3k4k n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4k s ARG 554 N -1.69 3.09 0.11 -1.40 1.70 -1.10 -4.11 118.95 115.56 3k4k s ARG 554 Ca 0.37 1.20 -0.13 0.00 -0.47 0.00 0.00 55.73 56.70 3k4k s ARG 554 Cb 0.27 -2.00 -0.06 0.00 -0.57 0.00 0.00 34.95 32.58 3k4k s ARG 554 CO -0.10 -0.99 0.48 1.41 -1.08 0.00 0.00 175.30 175.02 3k4k s MET 555 N -4.27 3.90 0.09 3.89 -2.45 -0.21 0.20 119.30 120.44 3k4k s MET 555 Ca 0.63 0.37 -0.06 0.00 -1.25 0.00 0.00 55.69 55.38 3k4k s MET 555 Cb -0.17 -2.99 0.02 0.00 1.25 0.00 0.00 34.83 32.95 3k4k s MET 555 CO 0.42 0.53 0.32 0.41 1.05 0.00 0.00 175.02 177.74 3k4k n GLY 556 N 0.94 1.30 0.12 2.11 0.00 -0.31 -4.56 105.19 104.79 3k4k n GLY 556 Ca -0.07 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 3k4k n GLY 556 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k4k h PHE 557 N 1.34 0.54 -3.34 1.61 0.04 -1.92 -3.32 116.94 111.89 3k4k h PHE 557 Ca -0.10 -0.40 -0.50 0.00 2.80 0.00 0.00 57.97 59.77 3k4k h PHE 557 Cb 0.41 -0.02 -0.35 0.00 2.20 0.00 0.00 35.95 38.19 3k4k h PHE 557 CO 0.00 1.48 -0.80 0.34 -0.60 0.00 0.00 178.31 178.73 3k4k s ASP 558 N -7.08 1.76 0.17 2.17 2.15 -1.26 -4.92 116.67 109.66 3k4k s ASP 558 Ca -0.11 -0.26 -0.16 0.00 0.43 0.00 0.00 52.55 52.45 3k4k s ASP 558 Cb 0.06 -0.75 0.12 0.00 -0.30 0.00 0.00 42.92 42.06 3k4k s ASP 558 CO 0.85 -0.04 1.69 -0.08 -0.17 0.00 0.00 175.17 177.42 3k4k h GLU 559 N 7.48 0.09 0.00 4.34 4.81 -1.89 0.04 114.58 129.44 3k4k h GLU 559 Ca -0.31 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3k4k h GLU 559 Cb 1.16 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3k4k h GLU 559 CO 0.44 0.06 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.55 3k4k h LYS 560 N 0.09 0.00 -0.79 1.92 3.64 -1.97 -1.58 116.57 117.88 3k4k h LYS 560 Ca 0.21 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 3k4k h LYS 560 Cb 0.30 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 3k4k h LYS 560 CO -0.36 0.51 0.39 0.93 -2.27 0.00 0.00 179.45 178.65 3k4k h GLU 561 N -1.00 0.59 -0.64 1.90 5.08 -1.99 -2.83 114.58 115.68 3k4k h GLU 561 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3k4k h GLU 561 Cb 0.51 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3k4k h GLU 561 CO -0.00 0.39 0.00 -0.25 -1.00 0.00 0.00 179.01 178.15 3k4k n ASP 562 N -4.88 4.12 -3.79 1.42 8.00 -0.00 -5.01 116.55 116.42 3k4k n ASP 562 Ca 0.14 -2.19 -0.33 0.00 0.71 0.00 0.00 54.79 53.12 3k4k n ASP 562 Cb 0.36 -0.49 0.02 0.00 -0.02 0.00 0.00 41.12 40.99 3k4k n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4k n ASN 563 N 1.26 -5.04 -4.10 -2.24 5.03 -0.99 -4.85 115.26 104.33 3k4k n ASN 563 Ca 0.23 -1.03 -0.11 0.00 0.87 0.00 0.00 54.58 54.55 3k4k n ASN 563 Cb 0.70 -2.59 -0.08 0.00 -1.02 0.00 0.00 39.78 36.79 3k4k n ASN 563 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k4k s VAL 566 N -2.15 1.86 0.48 0.00 -7.23 -0.80 -2.38 120.40 110.18 3k4k s VAL 566 Ca -0.05 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3k4k s VAL 566 Cb 0.02 -1.87 0.10 0.00 0.56 0.00 0.00 36.38 35.19 3k4k s VAL 566 CO 0.23 -0.31 0.66 -0.46 -0.31 0.00 0.00 175.10 174.91 3k4k n ASN 567 N 0.26 0.67 0.00 4.85 0.23 -0.53 -1.16 115.26 119.58 3k4k n ASN 567 Ca -0.13 -1.61 0.07 0.00 -0.53 0.00 0.00 54.58 52.38 3k4k n ASN 567 Cb 0.57 -0.45 0.32 0.00 -2.08 0.00 0.00 39.78 38.15 3k4k n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4k n THR 568 N -2.48 0.86 0.61 5.53 -2.24 -1.25 -1.07 114.28 114.25 3k4k n THR 568 Ca 0.10 0.22 0.07 0.00 -2.27 0.00 0.00 64.05 62.17 3k4k n THR 568 Cb 0.36 -0.98 0.19 0.00 -2.10 0.00 0.00 70.33 67.81 3k4k n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4k n ASP 569 N -1.42 2.34 -1.99 3.42 8.00 -1.26 -4.72 116.55 120.93 3k4k n ASP 569 Ca 0.05 -2.02 -0.17 0.00 0.71 0.00 0.00 54.79 53.36 3k4k n ASP 569 Cb 0.14 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3k4k n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4k n SER 570 N 0.74 -4.65 -4.73 -2.24 7.64 -0.23 -4.29 113.62 105.85 3k4k n SER 570 Ca 0.14 0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.87 3k4k n SER 570 Cb 0.38 -4.04 -0.05 0.00 -1.01 0.00 0.00 64.21 59.48 3k4k n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4k s ARG 571 N -4.28 4.37 0.15 1.43 3.52 -1.26 -1.55 118.95 121.34 3k4k s ARG 571 Ca 0.00 0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 56.01 3k4k s ARG 571 Cb 0.00 -3.41 -0.10 0.00 -1.56 0.00 0.00 34.95 29.88 3k4k s ARG 571 CO 0.00 0.20 1.58 0.08 -0.81 0.00 0.00 175.30 176.35 3k4k s VAL 572 N 0.40 2.67 0.29 7.11 1.01 -0.54 -1.45 120.40 129.89 3k4k s VAL 572 Ca 0.32 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3k4k s VAL 572 Cb -0.17 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.80 3k4k s VAL 572 CO 0.16 0.03 1.32 0.49 0.00 0.00 0.00 175.10 177.10 3k4k n PHE 573 N 4.19 2.14 0.00 5.22 3.72 -1.00 -1.17 117.46 130.56 3k4k n PHE 573 Ca 0.14 0.51 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 3k4k n PHE 573 Cb 0.39 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 3k4k n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4k n GLY 574 N 1.46 2.79 3.75 1.37 0.00 -1.26 -5.00 105.19 108.30 3k4k n GLY 574 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3k4k n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4k s PHE 575 N -1.41 3.45 0.23 1.61 0.40 -0.32 -4.06 117.98 117.89 3k4k s PHE 575 Ca 0.00 0.45 0.08 0.00 -0.60 0.00 0.00 56.93 56.87 3k4k s PHE 575 Cb 0.00 -2.20 0.21 0.00 0.51 0.00 0.00 43.02 41.54 3k4k s PHE 575 CO 0.00 0.33 1.52 0.87 0.70 0.00 0.00 175.22 178.64 3k4k h LYS 576 N 6.44 0.05 0.00 0.44 1.79 -1.31 -3.38 116.57 120.60 3k4k h LYS 576 Ca -0.43 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3k4k h LYS 576 Cb 1.16 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3k4k h LYS 576 CO 0.74 0.74 -0.19 0.27 -1.08 0.00 0.00 179.45 179.93 3k4k n ASN 577 N -3.72 1.40 -4.14 0.86 6.94 -1.26 -5.02 115.26 110.32 3k4k n ASN 577 Ca -0.01 -2.58 -0.30 0.00 -0.02 0.00 0.00 54.58 51.67 3k4k n ASN 577 Cb 0.69 -0.31 -0.17 0.00 -2.36 0.00 0.00 39.78 37.63 3k4k n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4k s LEU 578 N -1.65 1.92 0.05 -4.53 2.96 -1.26 -1.31 118.68 114.85 3k4k s LEU 578 Ca 0.18 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3k4k s LEU 578 Cb 0.16 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 3k4k s LEU 578 CO 0.02 0.10 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.64 3k4k s PHE 579 N 0.56 1.25 -0.04 5.38 0.40 -0.16 -1.46 117.98 123.90 3k4k s PHE 579 Ca -0.15 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 55.88 3k4k s PHE 579 Cb -0.17 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 3k4k s PHE 579 CO 0.05 0.04 -0.25 -0.51 0.70 0.00 0.00 175.22 175.25 3k4k s LEU 580 N -1.25 2.06 0.08 -0.37 1.43 -0.59 -1.23 118.68 118.81 3k4k s LEU 580 Ca 0.01 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3k4k s LEU 580 Cb -0.08 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 3k4k s LEU 580 CO 0.01 0.27 -0.24 -0.83 0.23 0.00 0.00 176.35 175.80 3k4k s GLY 581 N -0.35 1.34 0.00 -3.19 0.00 -0.18 -4.80 107.32 100.14 3k4k s GLY 581 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3k4k s GLY 581 CO 0.02 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.51 3k4k n GLY 582 N 1.39 0.84 0.29 0.20 0.00 -1.26 -4.40 105.19 102.25 3k4k n GLY 582 Ca -0.18 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 43.86 3k4k n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4k h GLY 584 N 0.97 0.00 2.00 0.00 0.00 -1.88 -1.04 103.07 103.13 3k4k h GLY 584 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3k4k h GLY 584 CO 0.01 0.00 -0.31 3.43 0.00 0.00 0.00 176.54 179.66 3k4k h ASN 585 N 0.00 0.00 -2.96 0.19 2.35 -1.31 -1.10 115.58 112.75 3k4k h ASN 585 Ca 0.02 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.20 3k4k h ASN 585 Cb 0.22 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3k4k h ASN 585 CO -0.00 0.31 0.91 -0.63 -1.65 0.00 0.00 177.43 176.37 3k4k s ILE 586 N -3.55 4.29 -1.60 2.81 1.01 -0.40 -1.05 121.20 122.71 3k4k s ILE 586 Ca 0.01 1.55 0.23 0.00 0.00 0.00 0.00 60.65 62.44 3k4k s ILE 586 Cb 0.10 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 3k4k s ILE 586 CO 0.67 -0.19 1.15 -0.81 0.00 0.00 0.00 174.94 175.76 3k4k n PRO 587 N 6.70 0.69 -2.57 2.79 -0.04 -1.26 -2.14 135.00 139.17 3k4k n PRO 587 Ca 0.14 -0.54 -0.24 0.00 -0.04 0.00 0.00 63.50 62.82 3k4k n PRO 587 Cb 0.45 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3k4k n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4k s THR 588 N -2.68 3.26 -0.37 0.52 -4.23 -1.26 -4.77 115.64 106.11 3k4k s THR 588 Ca 0.16 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.06 3k4k s THR 588 Cb 0.18 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.76 3k4k s THR 588 CO 0.66 -0.24 1.02 0.00 -0.54 0.00 0.00 174.62 175.52 3k4k s ALA 589 N -2.87 3.39 0.04 3.99 0.00 -1.26 -4.84 121.76 120.21 3k4k s ALA 589 Ca 0.54 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.25 3k4k s ALA 589 Cb -0.10 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3k4k s ALA 589 CO 0.42 -1.68 -0.15 1.52 0.00 0.00 0.00 175.76 175.86 3k4k s TYR 590 N 3.72 1.35 -0.07 0.00 1.13 -1.26 -4.58 117.35 117.63 3k4k s TYR 590 Ca 0.43 -0.35 0.11 0.00 -1.41 0.00 0.00 57.07 55.85 3k4k s TYR 590 Cb -0.11 -0.81 -0.16 0.00 -1.10 0.00 0.00 41.96 39.78 3k4k s TYR 590 CO 0.20 0.04 0.14 0.41 -2.51 0.00 0.00 175.55 173.83 3k4k n GLY 591 N 1.95 -0.55 3.71 5.49 0.00 -1.26 -4.18 105.19 110.35 3k4k n GLY 591 Ca -0.18 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3k4k n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4k s ALA 592 N -2.53 1.66 0.09 4.61 0.00 -1.26 -4.33 121.76 120.01 3k4k s ALA 592 Ca -0.05 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 3k4k s ALA 592 Cb 0.05 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3k4k s ALA 592 CO 0.48 -2.33 1.48 -0.80 0.00 0.00 0.00 175.76 174.59 3k4k s ASN 593 N -3.17 6.74 0.24 0.00 -0.87 -1.26 -4.91 114.94 111.72 3k4k s ASN 593 Ca 0.64 2.37 0.25 0.00 -1.57 0.00 0.00 52.86 54.54 3k4k s ASN 593 Cb -0.19 -2.58 0.58 0.00 -0.02 0.00 0.00 41.25 39.04 3k4k s ASN 593 CO 0.57 -0.74 1.62 1.55 -2.57 0.00 0.00 177.10 177.53 3k4k h PRO 594 N 7.32 0.00 -0.69 -0.60 0.13 -1.91 -3.40 132.00 132.85 3k4k h PRO 594 Ca -0.41 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3k4k h PRO 594 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3k4k h PRO 594 CO 0.89 0.00 0.45 1.15 -0.23 0.00 0.00 178.00 180.26 3k4k h THR 595 N 0.00 1.18 -0.80 1.56 2.02 -1.90 -0.90 112.91 114.06 3k4k h THR 595 Ca 0.00 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3k4k h THR 595 Cb 0.81 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3k4k h THR 595 CO 0.00 0.18 0.51 0.25 0.37 0.00 0.00 175.52 176.83 3k4k h LEU 596 N 0.93 0.86 -0.39 2.58 5.85 -1.87 0.05 115.31 123.33 3k4k h LEU 596 Ca 0.25 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3k4k h LEU 596 Cb -0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3k4k h LEU 596 CO -0.05 0.60 0.20 0.74 -0.34 0.00 0.00 178.44 179.59 3k4k h THR 597 N 1.01 1.16 -0.88 1.05 2.02 -1.69 -0.81 112.91 114.77 3k4k h THR 597 Ca 0.31 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3k4k h THR 597 Cb -0.02 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3k4k h THR 597 CO -0.10 0.17 0.57 0.00 0.37 0.00 0.00 175.52 176.53 3k4k h ALA 598 N 1.05 1.36 -0.67 6.16 0.00 -0.54 -1.94 119.26 124.67 3k4k h ALA 598 Ca 0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3k4k h ALA 598 Cb 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3k4k h ALA 598 CO -0.02 0.59 0.17 1.98 0.00 0.00 0.00 179.25 181.97 3k4k h MET 599 N 1.19 1.07 -0.53 0.00 -1.53 -0.74 -1.96 114.93 112.44 3k4k h MET 599 Ca 0.32 -0.25 -0.10 0.00 -3.44 0.00 0.00 59.70 56.23 3k4k h MET 599 Cb -0.13 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 30.76 3k4k h MET 599 CO -0.07 0.95 -0.06 0.77 0.14 0.00 0.00 176.91 178.64 3k4k h SER 600 N 1.00 0.93 -0.51 1.39 0.02 -0.69 -0.03 113.55 115.66 3k4k h SER 600 Ca 0.21 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 3k4k h SER 600 Cb 0.35 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3k4k h SER 600 CO 0.00 1.02 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.52 3k4k h LEU 601 N 0.85 1.00 -0.85 5.07 3.38 -1.09 -2.30 115.31 121.37 3k4k h LEU 601 Ca 0.15 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3k4k h LEU 601 Cb 0.58 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3k4k h LEU 601 CO 0.04 1.11 0.35 0.00 0.09 0.00 0.00 178.44 180.03 3k4k h ALA 602 N 0.97 1.09 -0.45 1.53 0.00 -0.80 -0.79 119.26 120.81 3k4k h ALA 602 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3k4k h ALA 602 Cb 0.67 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3k4k h ALA 602 CO 0.05 0.66 0.23 0.82 0.00 0.00 0.00 179.25 181.00 3k4k h ILE 603 N 1.16 0.97 -0.84 0.00 2.04 -0.70 0.83 117.51 120.97 3k4k h ILE 603 Ca 0.27 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3k4k h ILE 603 Cb 0.17 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3k4k h ILE 603 CO -0.03 0.08 0.49 0.50 0.00 0.00 0.00 178.15 179.20 3k4k h LYS 604 N 0.45 1.15 -0.70 2.37 3.64 -1.04 -1.53 116.57 120.92 3k4k h LYS 604 Ca 0.20 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3k4k h LYS 604 Cb 0.10 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3k4k h LYS 604 CO -0.14 0.82 0.23 1.03 -2.27 0.00 0.00 179.45 179.12 3k4k h SER 605 N 1.16 1.01 0.16 4.20 0.87 -0.80 -2.17 113.55 117.97 3k4k h SER 605 Ca 0.30 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3k4k h SER 605 Cb -0.02 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 3k4k h SER 605 CO -0.05 0.94 -0.16 0.00 -0.53 0.00 0.00 176.83 177.03 3k4k h GLU 607 N 0.01 0.86 -0.61 0.00 5.08 -0.68 -0.98 114.58 118.26 3k4k h GLU 607 Ca 0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3k4k h GLU 607 Cb 0.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3k4k h GLU 607 CO 0.02 0.98 0.36 -0.92 -1.00 0.00 0.00 179.01 178.45 3k4k h TYR 608 N 0.69 0.82 -0.60 4.33 5.03 -1.00 -0.25 116.97 126.00 3k4k h TYR 608 Ca 0.11 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.36 3k4k h TYR 608 Cb 0.68 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.67 3k4k h TYR 608 CO 0.05 0.57 0.19 0.82 -1.32 0.00 0.00 178.16 178.48 3k4k h ILE 609 N 0.83 1.24 -0.08 1.81 2.04 -1.17 -1.75 117.51 120.44 3k4k h ILE 609 Ca 0.22 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3k4k h ILE 609 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3k4k h ILE 609 CO -0.04 0.31 -0.03 0.11 0.00 0.00 0.00 178.15 178.50 3k4k h LYS 610 N 0.85 0.11 0.00 2.37 1.57 -0.47 -0.92 116.57 120.08 3k4k h LYS 610 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3k4k h LYS 610 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3k4k h LYS 610 CO -0.01 0.15 0.00 1.04 -0.57 0.00 0.00 179.45 180.07 3k4k n GLN 611 N -4.44 0.00 0.00 3.15 6.02 -0.17 -4.40 117.38 117.55 3k4k n GLN 611 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3k4k n GLN 611 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3k4k n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4k n ASN 612 N -1.50 0.00 -3.99 1.08 3.02 -0.78 -5.06 115.26 108.03 3k4k n ASN 612 Ca 0.07 -0.09 -0.20 0.00 -0.03 0.00 0.00 54.58 54.33 3k4k n ASN 612 Cb 0.33 0.18 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 3k4k n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4k s PHE 613 N -0.18 0.94 -0.18 3.10 0.08 -0.42 -5.06 117.98 116.26 3k4k s PHE 613 Ca 0.00 -0.24 -0.15 0.00 0.12 0.00 0.00 56.93 56.66 3k4k s PHE 613 Cb 0.00 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 3k4k s PHE 613 CO 0.00 -0.11 0.35 0.99 -0.10 0.00 0.00 175.22 176.35 3k4k s THR 614 N 0.24 5.25 0.63 0.64 2.01 -1.26 -4.72 115.64 118.43 3k4k s THR 614 Ca -0.04 0.63 -0.17 0.00 0.31 0.00 0.00 61.69 62.42 3k4k s THR 614 Cb -0.09 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 3k4k s THR 614 CO 0.01 0.32 1.18 -2.84 -0.69 0.00 0.00 174.62 172.59 3k4k s PRO 615 N 0.93 2.77 0.51 4.92 0.02 -1.26 -4.98 135.00 137.91 3k4k s PRO 615 Ca 0.18 1.71 -0.21 0.00 0.02 0.00 0.00 61.00 62.69 3k4k s PRO 615 Cb -0.14 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3k4k s PRO 615 CO 0.06 -1.34 1.20 -1.54 -0.33 0.00 0.00 177.00 175.06 3k4k s SER 616 N -1.91 5.77 0.38 2.53 1.04 -1.26 -4.95 113.70 115.30 3k4k s SER 616 Ca 0.74 2.37 -0.28 0.00 0.48 0.00 0.00 55.95 59.26 3k4k s SER 616 Cb -0.28 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.13 3k4k s SER 616 CO 0.37 -1.20 1.50 -2.84 0.98 0.00 0.00 173.24 172.05 3k4k s PRO 617 N -2.95 4.10 0.00 4.02 0.02 -1.26 -4.84 135.00 134.08 3k4k s PRO 617 Ca 0.69 2.59 0.19 0.00 0.02 0.00 0.00 61.00 64.49 3k4k s PRO 617 Cb -0.30 -2.96 1.13 0.00 0.02 0.00 0.00 34.50 32.39 3k4k s PRO 617 CO 0.35 -0.55 1.52 0.34 -0.33 0.00 0.00 177.00 178.33